(3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C21H19F3N2O2 — CID 97082963

IUPAC(3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)18-11-15(6-9-17(18)13-4-2-1-3-5-13)25-20(28)14-10-19(27)26(12-14)16-7-8-16/h1-6,9,11,14,16H,7-8,10,12H2,(H,25,28)/t14-/m1/s1
InChIKeyAVSHWYMAGKZEBM-CQSZACIVSA-N
MW388.39 g/mol
LogP4.32
Rot. Bonds4

About (3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

(3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 97082963) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID97082963
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name(3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1)[C@@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)18-11-15(6-9-17(18)13-4-2-1-3-5-13)25-20(28)14-10-19(27)26(12-14)16-7-8-16/h1-6,9,11,14,16H,7-8,10,12H2,(H,25,28)/t14-/m1/s1
InChIKeyAVSHWYMAGKZEBM-CQSZACIVSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 95332752
1-cycloheptyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113185547
(3S)-1-cyclopentyl-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 51630288
1-cyclopropyl-5-oxo-N-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxamide
CID 75401892
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
1-cyclohexyl-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 110423369
1-cyclopentyl-N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55765326
(3R)-1-cyclohexyl-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 675322
3-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 119219560
(3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 39954335
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 97082963) is (3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1)[C@@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is AVSHWYMAGKZEBM-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c22-21(23,24)18-11-15(6-9-17(18)13-4-2-1-3-5-13)25-20(28)14-10-19(27)26(12-14)16-7-8-16/h1-6,9,11,14,16H,7-8,10,12H2,(H,25,28)/t14-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
(3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97082963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).