4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C13H15BrN2O2 — CID 4785801

IUPAC4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O2/c14-11-5-3-10(4-6-11)13(18)15-9-12(17)16-7-1-2-8-16/h3-6H,1-2,7-9H2,(H,15,18)
InChIKeyMEAAUIGOJFEISX-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.80
Rot. Bonds3

About 4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 4785801) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID4785801
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(=O)N1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O2/c14-11-5-3-10(4-6-11)13(18)15-9-12(17)16-7-1-2-8-16/h3-6H,1-2,7-9H2,(H,15,18)
InChIKeyMEAAUIGOJFEISX-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 4785801) is 4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is O=C(NCC(=O)N1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is MEAAUIGOJFEISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c14-11-5-3-10(4-6-11)13(18)15-9-12(17)16-7-1-2-8-16/h3-6H,1-2,7-9H2,(H,15,18).
What are the key properties of 4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 311.18 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 4785801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).