N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide

C15H15BrN2O2 — CID 116813418

IUPACN-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide
SMILESCc1cc(N)c(NC(=O)c2cccc(O)c2C)c(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-8-6-11(16)14(12(17)7-8)18-15(20)10-4-3-5-13(19)9(10)2/h3-7,19H,17H2,1-2H3,(H,18,20)
InChIKeySDFKDXWSPFJBOF-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.61
Rot. Bonds2

About N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide

N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide (PubChem CID 116813418) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide
PubChem CID116813418
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide
SMILESCc1cc(N)c(NC(=O)c2cccc(O)c2C)c(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-8-6-11(16)14(12(17)7-8)18-15(20)10-4-3-5-13(19)9(10)2/h3-7,19H,17H2,1-2H3,(H,18,20)
InChIKeySDFKDXWSPFJBOF-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-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 116813658
2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 115540020
N-(2-amino-6-chlorophenyl)-3-hydroxy-2-methylbenzamide
CID 82827421
N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide
CID 103144449
N-(2-amino-6-bromo-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 116813593
N-(2,6-dibromo-4-methylphenyl)-2-(methylamino)benzamide
CID 61377648
3-amino-N-(4-bromo-2,6-difluorophenyl)-2-methylbenzamide
CID 65469438
5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
CID 102704977
2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969
N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide
CID 107722300
2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide
CID 114036150
3-amino-5-bromo-N-(2,6-dibromophenyl)-2-methylbenzamide
CID 107873304

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide (CID 116813418) is N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide is Cc1cc(N)c(NC(=O)c2cccc(O)c2C)c(Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide?
The InChIKey is SDFKDXWSPFJBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-8-6-11(16)14(12(17)7-8)18-15(20)10-4-3-5-13(19)9(10)2/h3-7,19H,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide?
N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-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-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 116813418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).