N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide

C11H14BrNO2 — CID 80665697

IUPACN-(2-bromopropyl)-3-hydroxy-N-methylbenzamide
SMILESCC(Br)CN(C)C(=O)c1cccc(O)c1
InChIInChI=1S/C11H14BrNO2/c1-8(12)7-13(2)11(15)9-4-3-5-10(14)6-9/h3-6,8,14H,7H2,1-2H3
InChIKeyHQARJHWFAVMMKJ-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.25
Rot. Bonds3

About N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide

N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide (PubChem CID 80665697) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-3-hydroxy-N-methylbenzamide
PubChem CID80665697
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-(2-bromopropyl)-3-hydroxy-N-methylbenzamide
SMILESCC(Br)CN(C)C(=O)c1cccc(O)c1
InChIInChI=1S/C11H14BrNO2/c1-8(12)7-13(2)11(15)9-4-3-5-10(14)6-9/h3-6,8,14H,7H2,1-2H3
InChIKeyHQARJHWFAVMMKJ-UHFFFAOYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide 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-hydroxy-N-methyl-N-(2-methylsulfanyl-2-sulfanylethyl)benzamide
CID 123688287
3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60891416
3-bromo-N-methyl-N-(2-methylpropyl)benzamide
CID 43243440
3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112660294
3-hydroxy-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 55000398
3-[2-hydroxypropyl(methyl)carbamoyl]benzoic acid
CID 62338581
N-(2-bromopropyl)-2-hydroxy-N,3-dimethylbenzamide
CID 80666341
N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107016757
3-bromo-N-(2-chloropropyl)-N-methylbenzamide
CID 63393941
N-(2-bromopropyl)-3,5-dimethoxy-N-methylbenzamide
CID 80665087
3-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60636386
3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044546

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide?
The IUPAC name of N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide (CID 80665697) is N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide is CC(Br)CN(C)C(=O)c1cccc(O)c1.
What is the InChIKey of N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide?
The InChIKey is HQARJHWFAVMMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8(12)7-13(2)11(15)9-4-3-5-10(14)6-9/h3-6,8,14H,7H2,1-2H3.
What are the key properties of N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide?
N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide has a molecular weight of 272.14 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-3-hydroxy-N-methylbenzamide is sourced from PubChem (CID 80665697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).