N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide

C15H15BrN2O — CID 81110048

IUPACN-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2cc(N)ccc2C)c1
InChIInChI=1S/C15H15BrN2O/c1-9-3-6-13(16)12(7-9)15(19)18-14-8-11(17)5-4-10(14)2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyVFSXFKGQFYWSEW-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.90
Rot. Bonds2

About N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide

N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide (PubChem CID 81110048) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide
PubChem CID81110048
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2cc(N)ccc2C)c1
InChIInChI=1S/C15H15BrN2O/c1-9-3-6-13(16)12(7-9)15(19)18-14-8-11(17)5-4-10(14)2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyVFSXFKGQFYWSEW-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

5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
CID 81111004
2,5-dibromo-N-(2,5-dimethylphenyl)benzamide
CID 114370020
N-(5-amino-2-methylphenyl)-2-chloro-4-methylbenzamide
CID 106860345
5-amino-2-bromo-N-(3-hydroxy-2,4-dimethylphenyl)benzamide
CID 115297143
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
N-(2-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81109928
5-amino-2-(dimethylamino)-N-(2,5-dimethylphenyl)benzamide
CID 61089997
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
CID 63115622
N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-5-methylbenzamide
CID 112555334
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
5-amino-N-(2-bromo-5-methylphenyl)-2-(dimethylamino)benzamide
CID 82744970
N-(4-amino-2,5-dimethylphenyl)-2-bromo-4-methylbenzamide
CID 103144537

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide (CID 81110048) is N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2cc(N)ccc2C)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide?
The InChIKey is VFSXFKGQFYWSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-9-3-6-13(16)12(7-9)15(19)18-14-8-11(17)5-4-10(14)2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide?
N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide 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-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide is sourced from PubChem (CID 81110048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).