N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide

C10H12BrNO2 — CID 82132450

IUPACN-(4-bromo-3-methylphenyl)-2-hydroxypropanamide
SMILESCc1cc(NC(=O)C(C)O)ccc1Br
InChIInChI=1S/C10H12BrNO2/c1-6-5-8(3-4-9(6)11)12-10(14)7(2)13/h3-5,7,13H,1-2H3,(H,12,14)
InChIKeyIXTPNBLVBYTULA-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.08
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide

N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide (PubChem CID 82132450) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-hydroxypropanamide
PubChem CID82132450
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC NameN-(4-bromo-3-methylphenyl)-2-hydroxypropanamide
SMILESCc1cc(NC(=O)C(C)O)ccc1Br
InChIInChI=1S/C10H12BrNO2/c1-6-5-8(3-4-9(6)11)12-10(14)7(2)13/h3-5,7,13H,1-2H3,(H,12,14)
InChIKeyIXTPNBLVBYTULA-UHFFFAOYSA-N
XLogP2.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide 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

2-bromo-N-(4-bromo-3-methylphenyl)propanamide
CID 12708491
N-(4-fluoro-3-methylphenyl)-2-hydroxypropanamide
CID 115140347
(2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide
CID 97237997
2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561
(2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9173242
(2R)-N-(4-bromo-3-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 9172923
1-(4-bromo-3-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991650
N-(4-bromo-3-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 43876544
(2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 95367609
(2S)-2-benzylsulfanyl-N-(4-bromo-3-methylphenyl)propanamide
CID 1257680
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide (CID 82132450) is N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide is Cc1cc(NC(=O)C(C)O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide?
The InChIKey is IXTPNBLVBYTULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-6-5-8(3-4-9(6)11)12-10(14)7(2)13/h3-5,7,13H,1-2H3,(H,12,14).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide?
N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide has a molecular weight of 258.11 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide is sourced from PubChem (CID 82132450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).