1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

C18H16ClFN2O2 — CID 17225348

IUPAC1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1)c1ccccc1
InChIInChI=1S/C18H16ClFN2O2/c1-21(13-5-3-2-4-6-13)18(24)12-9-17(23)22(11-12)14-7-8-16(20)15(19)10-14/h2-8,10,12H,9,11H2,1H3
InChIKeyCHQIYCBEHYAPQN-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.49
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 17225348) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID17225348
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1)c1ccccc1
InChIInChI=1S/C18H16ClFN2O2/c1-21(13-5-3-2-4-6-13)18(24)12-9-17(23)22(11-12)14-7-8-16(20)15(19)10-14/h2-8,10,12H,9,11H2,1H3
InChIKeyCHQIYCBEHYAPQN-UHFFFAOYSA-N
XLogP3.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-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

(3S)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 776720
(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
1-(3-chloro-4-fluorophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 3236644
N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120559
(3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 34319195
1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873905
1-(4-tert-butylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187256
(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9388957
methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189313
1-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 3469820
ethyl (3R)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075857
(3S)-1-(3-chloro-4-fluorophenyl)-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide
CID 125126376

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 17225348) is 1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is CN(C(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1)c1ccccc1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is CHQIYCBEHYAPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c1-21(13-5-3-2-4-6-13)18(24)12-9-17(23)22(11-12)14-7-8-16(20)15(19)10-14/h2-8,10,12H,9,11H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 346.79 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17225348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).