Q2X

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

Created:	2022-10-12
Last modified:	2024-09-27

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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 Q2X

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Chemical Component Summary
Name	4-chloranyl-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide
Systematic Name (OpenEye OEToolkits)	4-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	Clc1ccc(cc1C(=O)Nc2ccccc2)C(=O)NCc3ccccc3
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)CNC(=O)c2ccc(c(c2)C(=O)Nc3ccccc3)Cl
Canonical SMILES	CACTVS	3.385	Clc1ccc(cc1C(=O)Nc2ccccc2)C(=O)NCc3ccccc3
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)CNC(=O)c2ccc(c(c2)C(=O)Nc3ccccc3)Cl
InChI	InChI	1.06	InChI=1S/C21H17ClN2O2/c22-19-12-11-16(20(25)23-14-15-7-3-1-4-8-15)13-18(19)21(26)24-17-9-5-2-6-10-17/h1-13H,14H2,(H,23,25)(H,24,26)
InChIKey	InChI	1.06	FGJAFYUJIBFJCH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	166175735

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