(2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C19H17F3N2O2 — CID 10618638

IUPAC(2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C([C@@H]1CCCN1C(=O)C(F)(F)F)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)18(26)23-13-7-12-16(23)17(25)24(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2/t16-/m0/s1
InChIKeyHSSBYYCNFKCBIF-INIZCTEOSA-N
MW362.35 g/mol
LogP3.90
Rot. Bonds3

About (2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

(2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 10618638) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is (2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID10618638
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name(2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C([C@@H]1CCCN1C(=O)C(F)(F)F)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)18(26)23-13-7-12-16(23)17(25)24(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2/t16-/m0/s1
InChIKeyHSSBYYCNFKCBIF-INIZCTEOSA-N
XLogP3.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 87975279
1-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 110399846
N-(2-chlorophenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343933
benzyl 2-[(3-hydroxyphenyl)-phenylcarbamoyl]pyrrolidine-1-carboxylate
CID 90904602
N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 614237
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 165362024
N-cyclopropyl-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110872998
2,2,2-trifluoro-1-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 110343994
1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 142656009
1-[(4aR,9aR)-1-phenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]-2,2,2-trifluoroethanone
CID 178143484
N-cyclopropyl-N-(oxan-4-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110873077
2-methyl-1-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]propan-1-one
CID 22953695

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 10618638) is (2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is O=C([C@@H]1CCCN1C(=O)C(F)(F)F)N(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is HSSBYYCNFKCBIF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-19(21,22)18(26)23-13-7-12-16(23)17(25)24(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2/t16-/m0/s1.
What are the key properties of (2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
(2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diphenyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 10618638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).