N-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C13H12F3N3O — CID 65482796

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCNC2)cc1C(F)(F)F
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)11-5-10(2-1-8(11)6-17)19-12(20)9-3-4-18-7-9/h1-2,5,9,18H,3-4,7H2,(H,19,20)
InChIKeyUVHKRRJHXLVSFU-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.13
Rot. Bonds2

About N-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 65482796) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID65482796
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCNC2)cc1C(F)(F)F
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)11-5-10(2-1-8(11)6-17)19-12(20)9-3-4-18-7-9/h1-2,5,9,18H,3-4,7H2,(H,19,20)
InChIKeyUVHKRRJHXLVSFU-UHFFFAOYSA-N
XLogP2.13
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Gsk232420A
CID 11472813
4'-Cyano-3'-(trifluoromethyl)acetanilide
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CID 3155980
1-tert-butyl-N-(4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6471175
N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methylprop-2-enamide
CID 11149469
(S)-3-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)-N-(3,4-dimethylphenyl)-3-methylbutanamide
CID 44418268
1-Isopropyl-5-oxo-pyrrolidine-3-carboxylic acid (3,4-dimethyl-phenyl)-amide
CID 3156945
US11697636, Example 131
CID 156134900
4-Acetamido-2-methylbenzonitrile
CID 2737380
1-(3,4-Dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2927255
2-(1-cyanopyrrolidin-3-ylidene)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 155567450
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CID 2806433

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 65482796) is N-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is N#Cc1ccc(NC(=O)C2CCNC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is UVHKRRJHXLVSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)11-5-10(2-1-8(11)6-17)19-12(20)9-3-4-18-7-9/h1-2,5,9,18H,3-4,7H2,(H,19,20).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 283.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 65482796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).