N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide

C19H17FN2O3 — CID 110373964

IUPACN-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCC(=O)N2c2ccc(F)cc2)c1
InChIInChI=1S/C19H17FN2O3/c1-12(23)13-3-2-4-15(11-13)21-19(25)17-9-10-18(24)22(17)16-7-5-14(20)6-8-16/h2-8,11,17H,9-10H2,1H3,(H,21,25)
InChIKeyDJLUPHRTJVDYEV-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.16
Rot. Bonds4

About N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide

N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110373964) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110373964
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC NameN-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCC(=O)N2c2ccc(F)cc2)c1
InChIInChI=1S/C19H17FN2O3/c1-12(23)13-3-2-4-15(11-13)21-19(25)17-9-10-18(24)22(17)16-7-5-14(20)6-8-16/h2-8,11,17H,9-10H2,1H3,(H,21,25)
InChIKeyDJLUPHRTJVDYEV-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373835
N-(3-acetylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110374202
N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110423661
N-(4-ethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373944
N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110421968
N-(4-fluorophenyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 110420365
(3R)-N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7279210
1-(4-chlorophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 110374080
N-(3-acetylphenyl)-1-(4-fluorophenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78444214
methyl (2S)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 42261076
N-cyclopentyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373858
1-(4-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110373855

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide (CID 110373964) is N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide is CC(=O)c1cccc(NC(=O)C2CCC(=O)N2c2ccc(F)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is DJLUPHRTJVDYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-12(23)13-3-2-4-15(11-13)21-19(25)17-9-10-18(24)22(17)16-7-5-14(20)6-8-16/h2-8,11,17H,9-10H2,1H3,(H,21,25).
What are the key properties of N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide?
N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110373964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).