(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide

C14H12ClF5N2O2 — CID 52940698

IUPAC(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)C(F)(F)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C14H12ClF5N2O2/c1-22-9(5-13(16,17)12(22)24)11(23)21-6-7-3-2-4-8(10(7)15)14(18,19)20/h2-4,9H,5-6H2,1H3,(H,21,23)/t9-/m0/s1
InChIKeyRNOXPGOBXVBJPY-VIFPVBQESA-N
MW370.71 g/mol
LogP2.84
Rot. Bonds3

About (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 52940698) has the molecular formula C14H12ClF5N2O2 and a molecular weight of 370.71 g/mol. Its IUPAC name is (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID52940698
Molecular FormulaC14H12ClF5N2O2
Molecular Weight370.71 g/mol
Exact Mass370.05
IUPAC Name(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)C(F)(F)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C14H12ClF5N2O2/c1-22-9(5-13(16,17)12(22)24)11(23)21-6-7-3-2-4-8(10(7)15)14(18,19)20/h2-4,9H,5-6H2,1H3,(H,21,23)/t9-/m0/s1
InChIKeyRNOXPGOBXVBJPY-VIFPVBQESA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.71
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Gsk-1482160
CID 23649427
Gsk1370319A
CID 67461788
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N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
CID 42615253
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 25020193
N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopentyl-5-oxoprolinamide
CID 49864819
N-[(2-chloro-4-fluorophenyl)methyl]-1-(1-methylethyl)-5-oxo-prolinamide
CID 49864875
N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-5-oxo-prolinamide
CID 49864877
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxoprolinamide
CID 49864911
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-propylpyrrolidine-2-carboxamide
CID 49864912
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 49864913

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 52940698) is (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide is CN1C(=O)C(F)(F)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RNOXPGOBXVBJPY-VIFPVBQESA-N. The full InChI is InChI=1S/C14H12ClF5N2O2/c1-22-9(5-13(16,17)12(22)24)11(23)21-6-7-3-2-4-8(10(7)15)14(18,19)20/h2-4,9H,5-6H2,1H3,(H,21,23)/t9-/m0/s1.
What are the key properties of (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 370.71 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,4-difluoro-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 52940698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).