N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide

C15H15BrN2O2 — CID 104814446

IUPACN-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(C)c(O)c2)cc1N
InChIInChI=1S/C15H15BrN2O2/c1-8-3-4-10(6-14(8)19)15(20)18-13-7-12(17)9(2)5-11(13)16/h3-7,19H,17H2,1-2H3,(H,18,20)
InChIKeyADSBSKBSYDFAKV-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.61
Rot. Bonds2

About N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide

N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide (PubChem CID 104814446) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide
PubChem CID104814446
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(C)c(O)c2)cc1N
InChIInChI=1S/C15H15BrN2O2/c1-8-3-4-10(6-14(8)19)15(20)18-13-7-12(17)9(2)5-11(13)16/h3-7,19H,17H2,1-2H3,(H,18,20)
InChIKeyADSBSKBSYDFAKV-UHFFFAOYSA-N
XLogP3.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997661
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide
CID 104814581
N-(2-bromo-4-chlorophenyl)-3-hydroxy-4-methylbenzamide
CID 81271106
N-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148
3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide
CID 43702662
N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide
CID 113456213
3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide
CID 102739332
N-[2-amino-4-(trifluoromethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 16776129
N-(5-amino-2,4-dimethylphenyl)-4-hydroxybenzamide
CID 104757000
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide
CID 29262487

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide (CID 104814446) is N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide is Cc1cc(Br)c(NC(=O)c2ccc(C)c(O)c2)cc1N.
What is the InChIKey of N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide?
The InChIKey is ADSBSKBSYDFAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-8-3-4-10(6-14(8)19)15(20)18-13-7-12(17)9(2)5-11(13)16/h3-7,19H,17H2,1-2H3,(H,18,20).
What are the key properties of N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide?
N-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide has a molecular weight of 335.20 g/mol, XLogP of 3.61, 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)-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 104814446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).