N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C19H18ClFN2O2 — CID 166358922

IUPACN-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(Cl)cc1N(C)C(=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H18ClFN2O2/c1-12-3-4-14(20)10-17(12)22(2)19(25)13-9-18(24)23(11-13)16-7-5-15(21)6-8-16/h3-8,10,13H,9,11H2,1-2H3
InChIKeyPRIXJTFDDZABJI-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.80
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 166358922) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID166358922
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC NameN-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(Cl)cc1N(C)C(=O)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H18ClFN2O2/c1-12-3-4-14(20)10-17(12)22(2)19(25)13-9-18(24)23(11-13)16-7-5-15(21)6-8-16/h3-8,10,13H,9,11H2,1-2H3
InChIKeyPRIXJTFDDZABJI-UHFFFAOYSA-N
XLogP3.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17225348
1-(4-chlorophenyl)-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 87024320
(3R)-N-(3-fluoro-4-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528944
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97194074
(3R)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260423
1-(5-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970354
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747
1-(3-chloro-4-fluorophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 3236644
(3,4-dimethylphenyl) (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057122
(3S)-N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 680186
N-(3-chloro-4-methylphenyl)-1-(3,4-dimethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 86946447
(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 6935573

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 166358922) is N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is Cc1ccc(Cl)cc1N(C)C(=O)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PRIXJTFDDZABJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c1-12-3-4-14(20)10-17(12)22(2)19(25)13-9-18(24)23(11-13)16-7-5-15(21)6-8-16/h3-8,10,13H,9,11H2,1-2H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 360.82 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 166358922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).