N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C13H14ClN3O3 — CID 78981588

IUPACN-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)c1cc(NC(=O)C2CNC(=O)C2)ccc1Cl
InChIInChI=1S/C13H14ClN3O3/c1-15-13(20)9-5-8(2-3-10(9)14)17-12(19)7-4-11(18)16-6-7/h2-3,5,7H,4,6H2,1H3,(H,15,20)(H,16,18)(H,17,19)
InChIKeyKNMGWHXZSCVTQJ-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.77
Rot. Bonds3

About N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78981588) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78981588
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC NameN-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)c1cc(NC(=O)C2CNC(=O)C2)ccc1Cl
InChIInChI=1S/C13H14ClN3O3/c1-15-13(20)9-5-8(2-3-10(9)14)17-12(19)7-4-11(18)16-6-7/h2-3,5,7H,4,6H2,1H3,(H,15,20)(H,16,18)(H,17,19)
InChIKeyKNMGWHXZSCVTQJ-UHFFFAOYSA-N
XLogP0.77
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 60926898
2-hydroxy-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192489
N-[3-chloro-4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982696
N-(4-hydroxy-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 115338810
N-[4-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982525
5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
CID 119738470
N-[3-chloro-4-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119742686
N-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 81470239
N-[4-chloro-3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119297598
N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982179
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983233
N-[2-methyl-5-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982103

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 78981588) is N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CNC(=O)c1cc(NC(=O)C2CNC(=O)C2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KNMGWHXZSCVTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-15-13(20)9-5-8(2-3-10(9)14)17-12(19)7-4-11(18)16-6-7/h2-3,5,7H,4,6H2,1H3,(H,15,20)(H,16,18)(H,17,19).
What are the key properties of N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78981588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).