1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C11H10BrClN2O2 — CID 168697775

IUPAC1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C11H10BrClN2O2/c12-8-2-1-7(4-9(8)13)15-5-6(11(14)17)3-10(15)16/h1-2,4,6H,3,5H2,(H2,14,17)
InChIKeyUGKWPLSHEAAEFR-UHFFFAOYSA-N
MW317.57 g/mol
LogP1.94
Rot. Bonds2

About 1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697775) has the molecular formula C11H10BrClN2O2 and a molecular weight of 317.57 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168697775
Molecular FormulaC11H10BrClN2O2
Molecular Weight317.57 g/mol
Exact Mass315.96
IUPAC Name1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(Br)c(Cl)c2)C1
InChIInChI=1S/C11H10BrClN2O2/c12-8-2-1-7(4-9(8)13)15-5-6(11(14)17)3-10(15)16/h1-2,4,6H,3,5H2,(H2,14,17)
InChIKeyUGKWPLSHEAAEFR-UHFFFAOYSA-N
XLogP1.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.57
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(3-chloro-4-piperidin-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94077492
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697901
1-(4-acetamido-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696123
1-(3,5-dichloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697899
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
1-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide
CID 50896096
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076150
(3S)-1-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-5-oxopyrrolidine-3-carboxamide
CID 95733164
1-[1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42655789
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 168697848
6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid
CID 168698344

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 168697775) is 1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2ccc(Br)c(Cl)c2)C1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UGKWPLSHEAAEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O2/c12-8-2-1-7(4-9(8)13)15-5-6(11(14)17)3-10(15)16/h1-2,4,6H,3,5H2,(H2,14,17).
What are the key properties of 1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 317.57 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).