(3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C15H16ClF3N2O2 — CID 40977144

IUPAC(3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1C[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1=O
InChIInChI=1S/C15H16ClF3N2O2/c1-8(2)21-7-9(5-13(21)22)14(23)20-10-3-4-12(16)11(6-10)15(17,18)19/h3-4,6,8-9H,5,7H2,1-2H3,(H,20,23)/t9-/m0/s1
InChIKeyLGQSBXJOLQDHLN-VIFPVBQESA-N
MW348.75 g/mol
LogP3.55
Rot. Bonds3

About (3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

(3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 40977144) has the molecular formula C15H16ClF3N2O2 and a molecular weight of 348.75 g/mol. Its IUPAC name is (3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID40977144
Molecular FormulaC15H16ClF3N2O2
Molecular Weight348.75 g/mol
Exact Mass348.09
IUPAC Name(3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1C[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1=O
InChIInChI=1S/C15H16ClF3N2O2/c1-8(2)21-7-9(5-13(21)22)14(23)20-10-3-4-12(16)11(6-10)15(17,18)19/h3-4,6,8-9H,5,7H2,1-2H3,(H,20,23)/t9-/m0/s1
InChIKeyLGQSBXJOLQDHLN-VIFPVBQESA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.75
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529126
(3S)-1-(3-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 124529025
5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192652
(3S)-N-(2,5-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400597
N-[1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 46978274
(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 796285
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31816573
(3R)-1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 31888932
(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1248305
(3S)-N-(4-bromo-3-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1218744

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 40977144) is (3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1C[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1=O.
What is the InChIKey of (3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is LGQSBXJOLQDHLN-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16ClF3N2O2/c1-8(2)21-7-9(5-13(21)22)14(23)20-10-3-4-12(16)11(6-10)15(17,18)19/h3-4,6,8-9H,5,7H2,1-2H3,(H,20,23)/t9-/m0/s1.
What are the key properties of (3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
(3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 348.75 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 40977144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).