N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C17H14BrFN2O2 — CID 2948561

IUPACN-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C17H14BrFN2O2/c18-12-2-1-3-14(9-12)20-17(23)11-8-16(22)21(10-11)15-6-4-13(19)5-7-15/h1-7,9,11H,8,10H2,(H,20,23)
InChIKeyZKWIODAJHCSGBO-UHFFFAOYSA-N
MW377.21 g/mol
LogP3.58
Rot. Bonds3

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

N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2948561) has the molecular formula C17H14BrFN2O2 and a molecular weight of 377.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2948561
Molecular FormulaC17H14BrFN2O2
Molecular Weight377.21 g/mol
Exact Mass376.02
IUPAC NameN-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C17H14BrFN2O2/c18-12-2-1-3-14(9-12)20-17(23)11-8-16(22)21(10-11)15-6-4-13(19)5-7-15/h1-7,9,11H,8,10H2,(H,20,23)
InChIKeyZKWIODAJHCSGBO-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112067
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N-(3-bromo-5-(trifluoromethyl)phenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 16072551
1-(3-bromophenyl)-5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 155529158
N-(3-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 660492
1-cyclohexyl-N-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3161308
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2902416
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
1-(4-bromophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 647254
N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxo-1-pyrrolidinyl)butanamide
CID 2219836
N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
CID 2219854
1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 3116857

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 2948561) is N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc(Br)c1)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZKWIODAJHCSGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFN2O2/c18-12-2-1-3-14(9-12)20-17(23)11-8-16(22)21(10-11)15-6-4-13(19)5-7-15/h1-7,9,11H,8,10H2,(H,20,23).
What are the key properties of N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 377.21 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2948561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).