1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C13H15BrN2O2 — CID 168697270

IUPAC1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(CCc2ccc(Br)cc2)C1
InChIInChI=1S/C13H15BrN2O2/c14-11-3-1-9(2-4-11)5-6-16-8-10(13(15)18)7-12(16)17/h1-4,10H,5-8H2,(H2,15,18)
InChIKeyGSVARJGTSISKOT-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.33
Rot. Bonds4

About 1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697270) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168697270
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(CCc2ccc(Br)cc2)C1
InChIInChI=1S/C13H15BrN2O2/c14-11-3-1-9(2-4-11)5-6-16-8-10(13(15)18)7-12(16)17/h1-4,10H,5-8H2,(H2,15,18)
InChIKeyGSVARJGTSISKOT-UHFFFAOYSA-N
XLogP1.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4963915
5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide
CID 168697321
1-[2-(4-bromophenyl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501644
5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide
CID 168697255
N'-hydroxy-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboximidamide
CID 138111361
1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697385
N-[(4-bromophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 112790138
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4963914
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
5-oxo-1-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 168691390
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
(2-amino-2-oxoethyl) (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898644

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 168697270) is 1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(CCc2ccc(Br)cc2)C1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GSVARJGTSISKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c14-11-3-1-9(2-4-11)5-6-16-8-10(13(15)18)7-12(16)17/h1-4,10H,5-8H2,(H2,15,18).
What are the key properties of 1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).