N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C20H17F3N2O3 — CID 614237

IUPACN-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(c1ccccc1)c1ccccc1NC(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C20H17F3N2O3/c21-20(22,23)19(28)25-12-6-11-16(25)18(27)24-15-10-5-4-9-14(15)17(26)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H,24,27)
InChIKeyBMRLILJXUOGHCU-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.41
Rot. Bonds4

About N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 614237) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID614237
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC NameN-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESO=C(c1ccccc1)c1ccccc1NC(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C20H17F3N2O3/c21-20(22,23)19(28)25-12-6-11-16(25)18(27)24-15-10-5-4-9-14(15)17(26)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H,24,27)
InChIKeyBMRLILJXUOGHCU-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343933
N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 138108901
N-(3,4-dihydro-2H-chromen-8-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110870772
(2R)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605160
(2S)-1-benzoyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605159
(2S)-1-[3-(1H-benzimidazol-2-yl)propanoyl]-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide
CID 15949789
N-(2-benzoylphenyl)cyclopropanecarboxamide
CID 607537
(2R)-N-(2-benzoylphenyl)pyrrolidine-2-carboxamide;tert-butyl (2R)-2-[(2-benzoylphenyl)carbamoyl]pyrrolidine-1-carboxylate;diiodovanadium;triiodovanadium;hydrochloride
CID 158498244
methyl 4-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 110343966
(2S)-N-(2-benzoylphenyl)-1-[(2-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide
CID 51354096
N-(4-pyrrolidin-1-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343971
1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 46744827

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 614237) is N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is O=C(c1ccccc1)c1ccccc1NC(=O)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is BMRLILJXUOGHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c21-20(22,23)19(28)25-12-6-11-16(25)18(27)24-15-10-5-4-9-14(15)17(26)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H,24,27).
What are the key properties of N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 390.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 614237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).