4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide

C12H13BrN2O3 — CID 103873189

IUPAC4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
SMILESO=C1CCC(CNC(=O)c2ccc(Br)c(O)c2)N1
InChIInChI=1S/C12H13BrN2O3/c13-9-3-1-7(5-10(9)16)12(18)14-6-8-2-4-11(17)15-8/h1,3,5,8,16H,2,4,6H2,(H,14,18)(H,15,17)
InChIKeyVEWJZIUBLKITDM-UHFFFAOYSA-N
MW313.15 g/mol
LogP1.16
Rot. Bonds3

About 4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide

4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide (PubChem CID 103873189) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
PubChem CID103873189
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
SMILESO=C1CCC(CNC(=O)c2ccc(Br)c(O)c2)N1
InChIInChI=1S/C12H13BrN2O3/c13-9-3-1-7(5-10(9)16)12(18)14-6-8-2-4-11(17)15-8/h1,3,5,8,16H,2,4,6H2,(H,14,18)(H,15,17)
InChIKeyVEWJZIUBLKITDM-UHFFFAOYSA-N
XLogP1.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103908657
2,4-dibromo-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 113345292
4-tert-butyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 110732273
4-methylsulfanyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 91792844
4-bromo-3-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 114103391
3-bromo-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 103827007
4-bromo-3-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 103872705
4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-sulfanylbenzamide
CID 107030755
4-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydroxybenzamide
CID 103872708
N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 110732294
4-(3-hydroxy-3-methylbutyl)-N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]benzamide
CID 95869015
4-bromo-N-[(5-oxopyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 103925282

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide (CID 103873189) is 4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide is O=C1CCC(CNC(=O)c2ccc(Br)c(O)c2)N1.
What is the InChIKey of 4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
The InChIKey is VEWJZIUBLKITDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c13-9-3-1-7(5-10(9)16)12(18)14-6-8-2-4-11(17)15-8/h1,3,5,8,16H,2,4,6H2,(H,14,18)(H,15,17).
What are the key properties of 4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide?
4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide has a molecular weight of 313.15 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 103873189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).