4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide

C15H15BrN2O — CID 107578505

IUPAC4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc(N)cc2C)c1
InChIInChI=1S/C15H15BrN2O/c1-9-5-11(16)8-13(6-9)18-15(19)14-4-3-12(17)7-10(14)2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyIDBRCTXZCBXMAO-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.90
Rot. Bonds2

About 4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide

4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide (PubChem CID 107578505) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide
PubChem CID107578505
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide
SMILESCc1cc(Br)cc(NC(=O)c2ccc(N)cc2C)c1
InChIInChI=1S/C15H15BrN2O/c1-9-5-11(16)8-13(6-9)18-15(19)14-4-3-12(17)7-10(14)2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyIDBRCTXZCBXMAO-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

4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
CID 107581692
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
CID 107582986
5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide
CID 107581689
4-bromo-N-(3-bromo-5-methylphenyl)-3-methylbenzamide
CID 107583817
N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 84542762
4-amino-2-(3-bromo-5-methylanilino)benzoic acid
CID 107577656
N-(3-bromo-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104938593
N-(3-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 114030738
4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide
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N-(3-bromo-5-methylphenyl)-4-tert-butylbenzamide
CID 84512530

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide?
The IUPAC name of 4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide (CID 107578505) is 4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide is Cc1cc(Br)cc(NC(=O)c2ccc(N)cc2C)c1.
What is the InChIKey of 4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide?
The InChIKey is IDBRCTXZCBXMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-9-5-11(16)8-13(6-9)18-15(19)14-4-3-12(17)7-10(14)2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide?
4-amino-N-(3-bromo-5-methylphenyl)-2-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 4-amino-N-(3-bromo-5-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 107578505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).