N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide

C12H12FN3O — CID 78839911

IUPACN-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)N1CCCC1
InChIInChI=1S/C12H12FN3O/c13-10-3-4-11(9(7-10)8-14)15-12(17)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2,(H,15,17)
InChIKeyQLBGLNNBJFRLQL-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.33
Rot. Bonds1

About N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide

N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 78839911) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID78839911
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)N1CCCC1
InChIInChI=1S/C12H12FN3O/c13-10-3-4-11(9(7-10)8-14)15-12(17)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2,(H,15,17)
InChIKeyQLBGLNNBJFRLQL-UHFFFAOYSA-N
XLogP2.33
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-cyano-4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 82017015
N-(2-cyano-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 78839686
1-[(2-cyano-4-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82015860
N-(2-cyano-4-fluorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 78839934
1-(2-cyano-4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 78894519
N-(2-cyano-4-fluorophenyl)-4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepane-1-carboxamide
CID 78894118
5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 79771129
5-fluoro-2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]benzonitrile
CID 82016089
4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 3758236
N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide
CID 78954514
N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 78896587
2-(azocane-1-carbonylamino)-4-fluorobenzoic acid
CID 61200169

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide (CID 78839911) is N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide is N#Cc1cc(F)ccc1NC(=O)N1CCCC1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is QLBGLNNBJFRLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-10-3-4-11(9(7-10)8-14)15-12(17)16-5-1-2-6-16/h3-4,7H,1-2,5-6H2,(H,15,17).
What are the key properties of N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide?
N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 233.25 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 78839911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).