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

C12H12FN3O — CID 82015903

IUPAC(2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C12H12FN3O/c13-9-3-4-10(8(6-9)7-14)16-12(17)11-2-1-5-15-11/h3-4,6,11,15H,1-2,5H2,(H,16,17)/t11-/m0/s1
InChIKeyHSERVEZAOUZVGM-NSHDSACASA-N
MW233.25 g/mol
LogP1.39
Rot. Bonds2

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

(2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 82015903) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is (2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID82015903
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name(2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C12H12FN3O/c13-9-3-4-10(8(6-9)7-14)16-12(17)11-2-1-5-15-11/h3-4,6,11,15H,1-2,5H2,(H,16,17)/t11-/m0/s1
InChIKeyHSERVEZAOUZVGM-NSHDSACASA-N
XLogP1.39
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-bromo-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 28939511
N-(2-amino-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 110481295
N-(4-bromo-2-cyanophenyl)azepane-2-carboxamide
CID 82708278
(2R)-N-(2-bromo-5-fluorophenyl)pyrrolidine-2-carboxamide
CID 103794703
(2S)-N-(5-cyano-3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide
CID 61178083
N-(4-chloro-3-cyanophenyl)pyrrolidine-2-carboxamide
CID 43233967
(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119674019
N-(2-cyano-4-fluorophenyl)oxane-3-carboxamide
CID 79953095
N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 82016005
N-(2-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 79947681
(2R)-N-(2-fluoro-4-nitrophenyl)piperidine-2-carboxamide
CID 104913764
N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 82016419

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide (CID 82015903) is (2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide is N#Cc1cc(F)ccc1NC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is HSERVEZAOUZVGM-NSHDSACASA-N. The full InChI is InChI=1S/C12H12FN3O/c13-9-3-4-10(8(6-9)7-14)16-12(17)11-2-1-5-15-11/h3-4,6,11,15H,1-2,5H2,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide?
(2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 233.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyano-4-fluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 82015903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).