(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

C16H14F6N2O2 — CID 95332752

IUPAC(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H14F6N2O2/c17-15(18,19)9-4-10(16(20,21)22)6-11(5-9)23-14(26)8-3-13(25)24(7-8)12-1-2-12/h4-6,8,12H,1-3,7H2,(H,23,26)/t8-/m0/s1
InChIKeyQYXLWGVHYJYMIS-QMMMGPOBSA-N
MW380.29 g/mol
LogP3.67
Rot. Bonds3

About (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95332752) has the molecular formula C16H14F6N2O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95332752
Molecular FormulaC16H14F6N2O2
Molecular Weight380.29 g/mol
Exact Mass380.10
IUPAC Name(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C16H14F6N2O2/c17-15(18,19)9-4-10(16(20,21)22)6-11(5-9)23-14(26)8-3-13(25)24(7-8)12-1-2-12/h4-6,8,12H,1-3,7H2,(H,23,26)/t8-/m0/s1
InChIKeyQYXLWGVHYJYMIS-QMMMGPOBSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113185547
1-cyclohexyl-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 110423369
1-(1,1-dioxothiolan-3-yl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113184836
N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 21230150
(3R)-1-cyclopropyl-5-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 97082963
N-[3,5-bis(trifluoromethyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 88954768
(3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide
CID 99805339
N-(4-tert-butylphenyl)-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687552
1-(1,3-benzodioxol-5-yl)-N-[3,5-bis(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108791335
(3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 39954335
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
1-cyclopropyl-5-oxo-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429776

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (CID 95332752) is (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QYXLWGVHYJYMIS-QMMMGPOBSA-N. The full InChI is InChI=1S/C16H14F6N2O2/c17-15(18,19)9-4-10(16(20,21)22)6-11(5-9)23-14(26)8-3-13(25)24(7-8)12-1-2-12/h4-6,8,12H,1-3,7H2,(H,23,26)/t8-/m0/s1.
What are the key properties of (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 380.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95332752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).