3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide

C20H20ClN3O3 — CID 55677245

IUPAC3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1C
InChIInChI=1S/C20H20ClN3O3/c1-12-14(19(26)22-2)5-3-6-16(12)23-20(27)15-9-8-13(21)11-17(15)24-10-4-7-18(24)25/h3,5-6,8-9,11H,4,7,10H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyRDKZEZVGLJGCHU-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.39
Rot. Bonds4

About 3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide

3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide (PubChem CID 55677245) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide
PubChem CID55677245
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1C
InChIInChI=1S/C20H20ClN3O3/c1-12-14(19(26)22-2)5-3-6-16(12)23-20(27)15-9-8-13(21)11-17(15)24-10-4-7-18(24)25/h3,5-6,8-9,11H,4,7,10H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyRDKZEZVGLJGCHU-UHFFFAOYSA-N
XLogP3.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17499343
2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772
2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 4918942
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide
CID 9084885
5-chloro-2-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17488699
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-piperidin-1-ylbenzamide
CID 9083960
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29371044
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 38329748
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 36846071
4-chloro-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 55880742
2-methyl-3-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709787
4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 32606773

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide (CID 55677245) is 3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)c1C.
What is the InChIKey of 3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide?
The InChIKey is RDKZEZVGLJGCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-12-14(19(26)22-2)5-3-6-16(12)23-20(27)15-9-8-13(21)11-17(15)24-10-4-7-18(24)25/h3,5-6,8-9,11H,4,7,10H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide?
3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide has a molecular weight of 385.85 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 55677245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).