2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide

C21H19ClN2O3 — CID 112987942

IUPAC2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)c(OC)c1
InChIInChI=1S/C21H19ClN2O3/c1-26-16-11-12-19(20(13-16)27-2)23-14-7-9-15(10-8-14)24-21(25)17-5-3-4-6-18(17)22/h3-13,23H,1-2H3,(H,24,25)
InChIKeyGDFNVUYVUMVVHA-UHFFFAOYSA-N
MW382.85 g/mol
LogP5.35
Rot. Bonds6

About 2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide

2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide (PubChem CID 112987942) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide
PubChem CID112987942
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)c(OC)c1
InChIInChI=1S/C21H19ClN2O3/c1-26-16-11-12-19(20(13-16)27-2)23-14-7-9-15(10-8-14)24-21(25)17-5-3-4-6-18(17)22/h3-13,23H,1-2H3,(H,24,25)
InChIKeyGDFNVUYVUMVVHA-UHFFFAOYSA-N
XLogP5.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.85
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide
CID 86081867
5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 17101910
N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide
CID 112987930
4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43885917
2-chloro-N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 1319753
5-chloro-N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-methoxybenzamide
CID 17111377
5-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199779
N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128978
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
1-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-phenylurea
CID 113034717

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide (CID 112987942) is 2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide is COc1ccc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)c(OC)c1.
What is the InChIKey of 2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide?
The InChIKey is GDFNVUYVUMVVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-26-16-11-12-19(20(13-16)27-2)23-14-7-9-15(10-8-14)24-21(25)17-5-3-4-6-18(17)22/h3-13,23H,1-2H3,(H,24,25).
What are the key properties of 2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide?
2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide has a molecular weight of 382.85 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide is sourced from PubChem (CID 112987942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).