N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide

C14H13BrN2O2 — CID 29008265

IUPACN-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2N)c(O)c1
InChIInChI=1S/C14H13BrN2O2/c1-8-2-4-10(13(18)6-8)14(19)17-12-5-3-9(15)7-11(12)16/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyWUUNSARGBGXPTK-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.30
Rot. Bonds2

About N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide

N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide (PubChem CID 29008265) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide
PubChem CID29008265
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Br)cc2N)c(O)c1
InChIInChI=1S/C14H13BrN2O2/c1-8-2-4-10(13(18)6-8)14(19)17-12-5-3-9(15)7-11(12)16/h2-7,18H,16H2,1H3,(H,17,19)
InChIKeyWUUNSARGBGXPTK-UHFFFAOYSA-N
XLogP3.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-bromophenyl)-2-hydroxy-4-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

N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-4-methylbenzamide
CID 62097745
2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
CID 82757217
N-(2-amino-4-methylphenyl)-2-hydroxy-4-methoxybenzamide
CID 43259027
N-(2-fluoro-4-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 28881726
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
N-(2-amino-4-bromophenyl)-2,4,6-trimethylbenzamide
CID 29008296
2-amino-4-bromo-N-(4-hydroxy-2-methylphenyl)benzamide
CID 79723167
N-(5-bromo-2,4-difluorophenyl)-2-hydroxy-4-methylbenzamide
CID 102854031
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847
N-(2-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81480740
N-(4-amino-5-chloro-2-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 104667390
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide (CID 29008265) is N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Br)cc2N)c(O)c1.
What is the InChIKey of N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide?
The InChIKey is WUUNSARGBGXPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-8-2-4-10(13(18)6-8)14(19)17-12-5-3-9(15)7-11(12)16/h2-7,18H,16H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide?
N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide has a molecular weight of 321.17 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 29008265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).