4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C24H22ClN3O3 — CID 18292701

IUPAC4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc2)cc1
InChIInChI=1S/C24H22ClN3O3/c1-31-20-11-9-18(10-12-20)26-17-5-7-19(8-6-17)27-24(30)16-4-13-21(25)22(15-16)28-14-2-3-23(28)29/h4-13,15,26H,2-3,14H2,1H3,(H,27,30)
InChIKeyUNCZXKGAHYHJSO-UHFFFAOYSA-N
MW435.91 g/mol
LogP5.47
Rot. Bonds6

About 4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 18292701) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID18292701
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc2)cc1
InChIInChI=1S/C24H22ClN3O3/c1-31-20-11-9-18(10-12-20)26-17-5-7-19(8-6-17)27-24(30)16-4-13-21(25)22(15-16)28-14-2-3-23(28)29/h4-13,15,26H,2-3,14H2,1H3,(H,27,30)
InChIKeyUNCZXKGAHYHJSO-UHFFFAOYSA-N
XLogP5.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
4-chloro-N-(5-chloro-2-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9068775
propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 31864541
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzoate
CID 18200069
1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 41307910
3,5-dimethoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686372
1-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-fluorophenyl)thiourea
CID 9317879
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103779

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 18292701) is 4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide is COc1ccc(Nc2ccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)cc2)cc1.
What is the InChIKey of 4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is UNCZXKGAHYHJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-31-20-11-9-18(10-12-20)26-17-5-7-19(8-6-17)27-24(30)16-4-13-21(25)22(15-16)28-14-2-3-23(28)29/h4-13,15,26H,2-3,14H2,1H3,(H,27,30).
What are the key properties of 4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 435.91 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 18292701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).