5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide

C15H15BrN2O2 — CID 115297143

IUPAC5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(N)ccc2Br)c(C)c1O
InChIInChI=1S/C15H15BrN2O2/c1-8-3-6-13(9(2)14(8)19)18-15(20)11-7-10(17)4-5-12(11)16/h3-7,19H,17H2,1-2H3,(H,18,20)
InChIKeyWKDPGIFFYSNZLT-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.61
Rot. Bonds2

About 5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide

5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide (PubChem CID 115297143) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide
PubChem CID115297143
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(N)ccc2Br)c(C)c1O
InChIInChI=1S/C15H15BrN2O2/c1-8-3-6-13(9(2)14(8)19)18-15(20)11-7-10(17)4-5-12(11)16/h3-7,19H,17H2,1-2H3,(H,18,20)
InChIKeyWKDPGIFFYSNZLT-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-methylphenyl)-2-bromo-5-methylbenzamide
CID 81110048
5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
CID 81111004
5-amino-2-bromo-N-(2-methyl-3-nitrophenyl)benzamide
CID 115297130
5-amino-2-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367733
5-amino-2-bromo-N-(2-cyano-3-methylphenyl)benzamide
CID 107802401
5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107624145
5-amino-2-bromo-N-(2-bromo-4-cyanophenyl)benzamide
CID 115297136
5-amino-2-bromo-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107744382
N-(3-hydroxy-2,4-dimethylphenyl)-2-iodobenzamide
CID 61400668
5-amino-2-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433346
N-(3-hydroxy-2,4-dimethylphenyl)-2-(methylamino)benzamide
CID 61376332
5-chloro-N-(3-hydroxy-2,4-dimethylphenyl)furan-2-carboxamide
CID 113290206

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide (CID 115297143) is 5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2cc(N)ccc2Br)c(C)c1O.
What is the InChIKey of 5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide?
The InChIKey is WKDPGIFFYSNZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-8-3-6-13(9(2)14(8)19)18-15(20)11-7-10(17)4-5-12(11)16/h3-7,19H,17H2,1-2H3,(H,18,20).
What are the key properties of 5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide?
5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide 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 5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide is sourced from PubChem (CID 115297143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).