Q1R

5-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide

Created:	2022-10-11
Last modified:	2022-12-28

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1 entries where Q1R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	18

2D diagram of Q1R

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Chemical Component Summary
Name	5-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide
Systematic Name (OpenEye OEToolkits)	5-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide
Formula	C₂₁ H₁₇ Cl N₂ O₂
Molecular Weight	364.825
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1cc(cc(c1)C(=O)Nc2ccccc2)C(=O)NCc3ccccc3
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)CNC(=O)c2cc(cc(c2)Cl)C(=O)Nc3ccccc3
Canonical SMILES	CACTVS	3.385	Clc1cc(cc(c1)C(=O)Nc2ccccc2)C(=O)NCc3ccccc3
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)CNC(=O)c2cc(cc(c2)Cl)C(=O)Nc3ccccc3
InChI	InChI	1.06	InChI=1S/C21H17ClN2O2/c22-18-12-16(20(25)23-14-15-7-3-1-4-8-15)11-17(13-18)21(26)24-19-9-5-2-6-10-19/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKey	InChI	1.06	YLFDFYBJVIURMX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	166175734

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.