N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide

C14H12BrClN2O2 — CID 106500146

IUPACN-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(O)ccc2Cl)cc1N
InChIInChI=1S/C14H12BrClN2O2/c1-7-4-10(15)13(6-12(7)17)18-14(20)9-5-8(19)2-3-11(9)16/h2-6,19H,17H2,1H3,(H,18,20)
InChIKeyZVHSFUGWFXUKBQ-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.95
Rot. Bonds2

About N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide

N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide (PubChem CID 106500146) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide
PubChem CID106500146
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC NameN-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(O)ccc2Cl)cc1N
InChIInChI=1S/C14H12BrClN2O2/c1-7-4-10(15)13(6-12(7)17)18-14(20)9-5-8(19)2-3-11(9)16/h2-6,19H,17H2,1H3,(H,18,20)
InChIKeyZVHSFUGWFXUKBQ-UHFFFAOYSA-N
XLogP3.95
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide 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-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997661
2-chloro-N-(2,5-dibromophenyl)-5-hydroxybenzamide
CID 106501529
2-chloro-N-(2,4-dibromophenyl)-5-hydroxybenzamide
CID 106501538
N-(2-bromo-5-chlorophenyl)-2-chloro-5-hydroxybenzamide
CID 106501145
2-chloro-N-(2,5-dichloro-4-methylphenyl)-5-hydroxybenzamide
CID 106502134
N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide
CID 106501147
N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide
CID 107791092
2-chloro-N-(2,4-dimethylphenyl)-5-hydroxybenzamide
CID 106501171
4-bromo-3-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 107812576
N-(5-amino-2-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 104814325
N-(5-amino-2-bromo-4-methylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959542
N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 104814446

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide (CID 106500146) is N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide is Cc1cc(Br)c(NC(=O)c2cc(O)ccc2Cl)cc1N.
What is the InChIKey of N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide?
The InChIKey is ZVHSFUGWFXUKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-7-4-10(15)13(6-12(7)17)18-14(20)9-5-8(19)2-3-11(9)16/h2-6,19H,17H2,1H3,(H,18,20).
What are the key properties of N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide?
N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide has a molecular weight of 355.62 g/mol, XLogP of 3.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 106500146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).