(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C13H14ClFN2O2 — CID 129395726

IUPAC(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CC[C@@H]1C(=O)NCc1cccc(Cl)c1F
InChIInChI=1S/C13H14ClFN2O2/c1-17-10(5-6-11(17)18)13(19)16-7-8-3-2-4-9(14)12(8)15/h2-4,10H,5-7H2,1H3,(H,16,19)/t10-/m1/s1
InChIKeyUSUBWUWSOJEYDF-SNVBAGLBSA-N
MW284.72 g/mol
LogP1.72
Rot. Bonds3

About (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 129395726) has the molecular formula C13H14ClFN2O2 and a molecular weight of 284.72 g/mol. Its IUPAC name is (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID129395726
Molecular FormulaC13H14ClFN2O2
Molecular Weight284.72 g/mol
Exact Mass284.07
IUPAC Name(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CC[C@@H]1C(=O)NCc1cccc(Cl)c1F
InChIInChI=1S/C13H14ClFN2O2/c1-17-10(5-6-11(17)18)13(19)16-7-8-3-2-4-9(14)12(8)15/h2-4,10H,5-7H2,1H3,(H,16,19)/t10-/m1/s1
InChIKeyUSUBWUWSOJEYDF-SNVBAGLBSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 59303311
(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethylpyrrolidine-2-carboxamide
CID 131911519
(4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide
CID 144912516
1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 143816480
N-[(4-chloro-2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146133050
N-[[2-(1,1-difluoroethyl)-4-fluorophenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 162555052
1-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110687248
(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoro-4-methylpyrrolidine-1-carboxylic acid
CID 141341383
(2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide
CID 130322552
N-[(2,4-dichloro-6-methylphenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 59303314
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
1-methyl-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 110687261

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 129395726) is (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is CN1C(=O)CC[C@@H]1C(=O)NCc1cccc(Cl)c1F.
What is the InChIKey of (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is USUBWUWSOJEYDF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14ClFN2O2/c1-17-10(5-6-11(17)18)13(19)16-7-8-3-2-4-9(14)12(8)15/h2-4,10H,5-7H2,1H3,(H,16,19)/t10-/m1/s1.
What are the key properties of (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 284.72 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 129395726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).