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

C15H15BrN2O — CID 43805804

IUPAC2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide
SMILESCc1ccc(Br)cc1NC(=O)c1cccc(C)c1N
InChIInChI=1S/C15H15BrN2O/c1-9-6-7-11(16)8-13(9)18-15(19)12-5-3-4-10(2)14(12)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyXIEUNYHAEVRIEC-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.90
Rot. Bonds2

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

2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide (PubChem CID 43805804) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide
PubChem CID43805804
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide
SMILESCc1ccc(Br)cc1NC(=O)c1cccc(C)c1N
InChIInChI=1S/C15H15BrN2O/c1-9-6-7-11(16)8-13(9)18-15(19)12-5-3-4-10(2)14(12)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyXIEUNYHAEVRIEC-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

2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810
2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide
CID 43347143
N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343683
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzamide
CID 61375909
5-amino-N-(5-bromo-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 103295994
N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide
CID 107688790
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
N-(2-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81480740
2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide
CID 103410429
N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide
CID 104577636
N-(2,5-dibromophenyl)-2-methylbenzamide
CID 47167937
2-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977715

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide (CID 43805804) is 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide is Cc1ccc(Br)cc1NC(=O)c1cccc(C)c1N.
What is the InChIKey of 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide?
The InChIKey is XIEUNYHAEVRIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-9-6-7-11(16)8-13(9)18-15(19)12-5-3-4-10(2)14(12)17/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide?
2-amino-N-(5-bromo-2-methylphenyl)-3-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 2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide is sourced from PubChem (CID 43805804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).