N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide

C12H14FN3O2 — CID 43432164

IUPACN-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2CCCN2)ccc1F
InChIInChI=1S/C12H14FN3O2/c13-9-4-3-7(6-8(9)11(14)17)16-12(18)10-2-1-5-15-10/h3-4,6,10,15H,1-2,5H2,(H2,14,17)(H,16,18)
InChIKeyZTIYYVFEHAAQPJ-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.62
Rot. Bonds3

About N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide

N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 43432164) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID43432164
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
SMILESNC(=O)c1cc(NC(=O)C2CCCN2)ccc1F
InChIInChI=1S/C12H14FN3O2/c13-9-4-3-7(6-8(9)11(14)17)16-12(18)10-2-1-5-15-10/h3-4,6,10,15H,1-2,5H2,(H2,14,17)(H,16,18)
InChIKeyZTIYYVFEHAAQPJ-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
CID 103808664
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119316570
N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107067383
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide
CID 43706556
(2S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]pyrrolidine-2-carboxamide
CID 61178271
(2S)-N-(4-carbamoyl-3-chlorophenyl)piperidine-2-carboxamide
CID 103808831
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007085
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide (CID 43432164) is N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide is NC(=O)c1cc(NC(=O)C2CCCN2)ccc1F.
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is ZTIYYVFEHAAQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c13-9-4-3-7(6-8(9)11(14)17)16-12(18)10-2-1-5-15-10/h3-4,6,10,15H,1-2,5H2,(H2,14,17)(H,16,18).
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide?
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 251.26 g/mol, XLogP of 0.62, 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-2-carboxamide is sourced from PubChem (CID 43432164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).