N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide

C15H15BrN2O — CID 43548126

IUPACN-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide
SMILESCc1ccc(N)c(NC(=O)c2ccc(Br)cc2)c1C
InChIInChI=1S/C15H15BrN2O/c1-9-3-8-13(17)14(10(9)2)18-15(19)11-4-6-12(16)7-5-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyAHACGMMUHQERGX-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.90
Rot. Bonds2

About N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide

N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide (PubChem CID 43548126) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide
PubChem CID43548126
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide
SMILESCc1ccc(N)c(NC(=O)c2ccc(Br)cc2)c1C
InChIInChI=1S/C15H15BrN2O/c1-9-3-8-13(17)14(10(9)2)18-15(19)11-4-6-12(16)7-5-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyAHACGMMUHQERGX-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-2,3-dimethylphenyl)-6-methylpyridine-3-carboxamide
CID 43548085
N-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide
CID 43548023
4-amino-3-methyl-N-(2,4,6-tribromophenyl)benzamide
CID 28991635
N-(6-amino-2,3-dimethylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43548027
N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide
CID 43548068
N-(6-amino-2,3-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218671
N-(6-amino-2,3-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 43548108
N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797496
N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide
CID 43548048
N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)-4-bromobenzamide
CID 50880143
N-(6-amino-2,3-dimethylphenyl)cyclopropanecarboxamide
CID 43548116
N-(6-amino-2,3-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
CID 65199593

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide (CID 43548126) is N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide is Cc1ccc(N)c(NC(=O)c2ccc(Br)cc2)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide?
The InChIKey is AHACGMMUHQERGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-9-3-8-13(17)14(10(9)2)18-15(19)11-4-6-12(16)7-5-11/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide?
N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide has a molecular weight of 319.20 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide is sourced from PubChem (CID 43548126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).