4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide

C29H25ClN2O3 — CID 11839612

IUPAC4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)CC(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C29H25ClN2O3/c1-35-24-15-13-23(14-16-24)31-29(34)22-12-17-26(30)27(18-22)32-28(33)19-25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-18,25H,19H2,1H3,(H,31,34)(H,32,33)
InChIKeyTUWCSNTWZFRJKM-UHFFFAOYSA-N
MW484.98 g/mol
LogP6.76
Rot. Bonds8

About 4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide

4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide (PubChem CID 11839612) has the molecular formula C29H25ClN2O3 and a molecular weight of 484.98 g/mol. Its IUPAC name is 4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide
PubChem CID11839612
Molecular FormulaC29H25ClN2O3
Molecular Weight484.98 g/mol
Exact Mass484.16
IUPAC Name4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)CC(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C29H25ClN2O3/c1-35-24-15-13-23(14-16-24)31-29(34)22-12-17-26(30)27(18-22)32-28(33)19-25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-18,25H,19H2,1H3,(H,31,34)(H,32,33)
InChIKeyTUWCSNTWZFRJKM-UHFFFAOYSA-N
XLogP6.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.98
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 4-chloro-3-(3,3-diphenylpropanoylamino)benzoate
CID 7312050
N-[2-chloro-5-(phenylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 2268765
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
(3S)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 740869
(3R)-3-(2-hydroxyphenyl)-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 740870
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136
[2-(4-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2335957
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide (CID 11839612) is 4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)CC(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide?
The InChIKey is TUWCSNTWZFRJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN2O3/c1-35-24-15-13-23(14-16-24)31-29(34)22-12-17-26(30)27(18-22)32-28(33)19-25(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-18,25H,19H2,1H3,(H,31,34)(H,32,33).
What are the key properties of 4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide?
4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide has a molecular weight of 484.98 g/mol, XLogP of 6.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3,3-diphenylpropanoylamino)-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 11839612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).