(3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C12H12ClFN2O2 — CID 7357016

IUPAC(3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)CC1=O
InChIInChI=1S/C12H12ClFN2O2/c1-16-6-7(4-11(16)17)12(18)15-8-2-3-10(14)9(13)5-8/h2-3,5,7H,4,6H2,1H3,(H,15,18)/t7-/m1/s1
InChIKeyIDAJIKLPFGRPLS-SSDOTTSWSA-N
MW270.69 g/mol
LogP1.90
Rot. Bonds2

About (3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 7357016) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is (3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID7357016
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name(3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)CC1=O
InChIInChI=1S/C12H12ClFN2O2/c1-16-6-7(4-11(16)17)12(18)15-8-2-3-10(14)9(13)5-8/h2-3,5,7H,4,6H2,1H3,(H,15,18)/t7-/m1/s1
InChIKeyIDAJIKLPFGRPLS-SSDOTTSWSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethyl-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146125472
(3R)-N-(3-chloro-4-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350589
N-(4-fluoro-3-nitrophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146125696
N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186795
N-(3-chloro-4-fluorophenyl)-5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 113192169
N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190173
methyl 4-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189474
N-(2-chloro-4,6-difluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146124256
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153830
(3S)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95163305
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155670

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 7357016) is (3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)CC1=O.
What is the InChIKey of (3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IDAJIKLPFGRPLS-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c1-16-6-7(4-11(16)17)12(18)15-8-2-3-10(14)9(13)5-8/h2-3,5,7H,4,6H2,1H3,(H,15,18)/t7-/m1/s1.
What are the key properties of (3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 270.69 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chloro-4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 7357016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).