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

C18H17FN2O2 — CID 110373818

IUPACN-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(N2C(=O)CCC2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C18H17FN2O2/c1-12-6-8-13(9-7-12)21-16(10-11-17(21)22)18(23)20-15-5-3-2-4-14(15)19/h2-9,16H,10-11H2,1H3,(H,20,23)
InChIKeyMNWXCVXFXLXJRK-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.27
Rot. Bonds3

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

N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110373818) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110373818
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(N2C(=O)CCC2C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C18H17FN2O2/c1-12-6-8-13(9-7-12)21-16(10-11-17(21)22)18(23)20-15-5-3-2-4-14(15)19/h2-9,16H,10-11H2,1H3,(H,20,23)
InChIKeyMNWXCVXFXLXJRK-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110420250
(2R)-N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
CID 92712425
N-(5-chloro-2-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373823
N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373746
N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373835
N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110374182
ethyl 2-[(5-oxo-1-phenylpyrrolidine-2-carbonyl)amino]benzoate
CID 110428312
N-(3-bromo-5-methylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110614171
N-(2-fluorophenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
CID 3736228
N-(4-fluorophenyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 110420365
N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110423661
N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373944

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 110373818) is N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide is Cc1ccc(N2C(=O)CCC2C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is MNWXCVXFXLXJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-12-6-8-13(9-7-12)21-16(10-11-17(21)22)18(23)20-15-5-3-2-4-14(15)19/h2-9,16H,10-11H2,1H3,(H,20,23).
What are the key properties of N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110373818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).