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

C14H13BrN2O — CID 43805810

IUPAC2-amino-N-(5-bromo-2-methylphenyl)benzamide
SMILESCc1ccc(Br)cc1NC(=O)c1ccccc1N
InChIInChI=1S/C14H13BrN2O/c1-9-6-7-10(15)8-13(9)17-14(18)11-4-2-3-5-12(11)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeyJAMOHVMTOIGYCF-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.59
Rot. Bonds2

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

2-amino-N-(5-bromo-2-methylphenyl)benzamide (PubChem CID 43805810) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-methylphenyl)benzamide
PubChem CID43805810
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name2-amino-N-(5-bromo-2-methylphenyl)benzamide
SMILESCc1ccc(Br)cc1NC(=O)c1ccccc1N
InChIInChI=1S/C14H13BrN2O/c1-9-6-7-10(15)8-13(9)17-14(18)11-4-2-3-5-12(11)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeyJAMOHVMTOIGYCF-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.59
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

2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide
CID 43805804
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzamide
CID 61375909
2-amino-N-[5-bromo-2-(dimethylamino)phenyl]benzamide
CID 61213111
N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343683
5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 103295994
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
N-(2,5-dibromophenyl)-2-methylbenzamide
CID 47167937
5-bromo-N-(2-carbamoylphenyl)-2-methylbenzamide
CID 65311671
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide
CID 103144641
2-amino-N-(2,4-dimethylphenyl)benzamide;hydrochloride
CID 170900117
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide
CID 107688790

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-methylphenyl)benzamide?
The IUPAC name of 2-amino-N-(5-bromo-2-methylphenyl)benzamide (CID 43805810) is 2-amino-N-(5-bromo-2-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-methylphenyl)benzamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-methylphenyl)benzamide is Cc1ccc(Br)cc1NC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(5-bromo-2-methylphenyl)benzamide?
The InChIKey is JAMOHVMTOIGYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-9-6-7-10(15)8-13(9)17-14(18)11-4-2-3-5-12(11)16/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(5-bromo-2-methylphenyl)benzamide?
2-amino-N-(5-bromo-2-methylphenyl)benzamide has a molecular weight of 305.18 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-methylphenyl)benzamide is sourced from PubChem (CID 43805810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).