N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide

C12H14FN3O2 — CID 63007085

IUPACN-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2CCNC2)ccc1F
InChIInChI=1S/C12H14FN3O2/c13-10-2-1-8(5-9(10)11(14)17)16-12(18)7-3-4-15-6-7/h1-2,5,7,15H,3-4,6H2,(H2,14,17)(H,16,18)
InChIKeyTXAVZQUVECCXPE-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.47
Rot. Bonds3

About N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide

N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide (PubChem CID 63007085) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide
PubChem CID63007085
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2CCNC2)ccc1F
InChIInChI=1S/C12H14FN3O2/c13-10-2-1-8(5-9(10)11(14)17)16-12(18)7-3-4-15-6-7/h1-2,5,7,15H,3-4,6H2,(H2,14,17)(H,16,18)
InChIKeyTXAVZQUVECCXPE-UHFFFAOYSA-N
XLogP0.47
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide
CID 43706556
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 43432164
(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
CID 103808664
methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate
CID 43707540
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708015
2-fluoro-4-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 107795041
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
CID 119281108
N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107067383

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide (CID 63007085) is N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide is NC(=O)c1cc(NC(=O)C2CCNC2)ccc1F.
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is TXAVZQUVECCXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-10-2-1-8(5-9(10)11(14)17)16-12(18)7-3-4-15-6-7/h1-2,5,7,15H,3-4,6H2,(H2,14,17)(H,16,18).
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide?
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 251.26 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63007085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).