4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide

C21H22ClN3O3 — CID 26955432

IUPAC4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C21H22ClN3O3/c22-16-11-9-15(10-12-16)21(28)23-13-3-7-19(26)24-17-5-1-2-6-18(17)25-14-4-8-20(25)27/h1-2,5-6,9-12H,3-4,7-8,13-14H2,(H,23,28)(H,24,26)
InChIKeyVTVZUNHPHOTENE-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.62
Rot. Bonds7

About 4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide

4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide (PubChem CID 26955432) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide
PubChem CID26955432
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C21H22ClN3O3/c22-16-11-9-15(10-12-16)21(28)23-13-3-7-19(26)24-17-5-1-2-6-18(17)25-14-4-8-20(25)27/h1-2,5-6,9-12H,3-4,7-8,13-14H2,(H,23,28)(H,24,26)
InChIKeyVTVZUNHPHOTENE-UHFFFAOYSA-N
XLogP3.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 107909776
4-chloro-N-[4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butyl]benzamide
CID 26905508
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylsulfanylpropanamide
CID 26955397
2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42238821
2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772
4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 18161251
4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 9439469
2-(2-methoxyethylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 112722629
4-chloro-2-fluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17499343
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 41395637
4-chloro-N-[4-oxo-4-(2-thiophen-2-ylanilino)butyl]benzamide
CID 55469548

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide?
The IUPAC name of 4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide (CID 26955432) is 4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide is O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide?
The InChIKey is VTVZUNHPHOTENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c22-16-11-9-15(10-12-16)21(28)23-13-3-7-19(26)24-17-5-1-2-6-18(17)25-14-4-8-20(25)27/h1-2,5-6,9-12H,3-4,7-8,13-14H2,(H,23,28)(H,24,26).
What are the key properties of 4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide?
4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide has a molecular weight of 399.88 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-oxo-4-[2-(2-oxopyrrolidin-1-yl)anilino]butyl]benzamide is sourced from PubChem (CID 26955432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).