N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C13H14FN3O3 — CID 78981850

IUPACN-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)C1CNC(=O)C1
InChIInChI=1S/C13H14FN3O3/c1-6-9(14)2-7(12(15)19)3-10(6)17-13(20)8-4-11(18)16-5-8/h2-3,8H,4-5H2,1H3,(H2,15,19)(H,16,18)(H,17,20)
InChIKeyIXAKORQZVKOYIF-UHFFFAOYSA-N
MW279.27 g/mol
LogP0.31
Rot. Bonds3

About N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78981850) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78981850
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)C1CNC(=O)C1
InChIInChI=1S/C13H14FN3O3/c1-6-9(14)2-7(12(15)19)3-10(6)17-13(20)8-4-11(18)16-5-8/h2-3,8H,4-5H2,1H3,(H2,15,19)(H,16,18)(H,17,20)
InChIKeyIXAKORQZVKOYIF-UHFFFAOYSA-N
XLogP0.31
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 78954339
N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 102848007
N-[2-methyl-5-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982103
3-(cyclopentylamino)-5-fluoro-4-methylbenzamide
CID 43735724
1-(benzenesulfonyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 55732866
3-[[2-(cyclopropylamino)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 54924427
N-(2-methyl-3-sulfamoylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78983267
5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 78981558
2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192341
N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981643
3-fluoro-5-formamido-4-methylbenzamide
CID 64992744
N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983438

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 78981850) is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)C1CNC(=O)C1.
What is the InChIKey of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IXAKORQZVKOYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-6-9(14)2-7(12(15)19)3-10(6)17-13(20)8-4-11(18)16-5-8/h2-3,8H,4-5H2,1H3,(H2,15,19)(H,16,18)(H,17,20).
What are the key properties of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 279.27 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78981850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).