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

C17H14F2N2O2 — CID 46159323

IUPACN-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H14F2N2O2/c18-11-4-6-14(7-5-11)21-9-8-15(17(21)23)16(22)20-13-3-1-2-12(19)10-13/h1-7,10,15H,8-9H2,(H,20,22)
InChIKeyXENMQGGHKXNRAT-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.96
Rot. Bonds3

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

N-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 46159323) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID46159323
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC NameN-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C17H14F2N2O2/c18-11-4-6-14(7-5-11)21-9-8-15(17(21)23)16(22)20-13-3-1-2-12(19)10-13/h1-7,10,15H,8-9H2,(H,20,22)
InChIKeyXENMQGGHKXNRAT-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(3-fluorophenyl)-2-oxo-1-(2-pyrrol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 93330677
N-(4-fluorophenyl)-2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 46048508
1-(4-fluoro-3-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 42863497
(3S)-1-(3-chloro-4-methylphenyl)-N-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330510
(3R)-N-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 875351
(3R)-N-[3-(carbamoylamino)phenyl]-1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 94477713
(3S)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 94490782
2-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119187687
1-(4-fluorophenyl)-3-[2-(3-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 120736568
2-[[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243142
ethyl 3-[[1-(3,4-dimethylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 60565902
4-[[1-(4-fluorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-5-phenylpentanoic acid
CID 120546604

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide (CID 46159323) is N-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc(F)c1)C1CCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of N-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is XENMQGGHKXNRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c18-11-4-6-14(7-5-11)21-9-8-15(17(21)23)16(22)20-13-3-1-2-12(19)10-13/h1-7,10,15H,8-9H2,(H,20,22).
What are the key properties of N-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide?
N-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46159323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).