2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide

C15H15BrN2O2 — CID 107623964

IUPAC2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(Br)c2C)c1N
InChIInChI=1S/C15H15BrN2O2/c1-9-11(16)6-4-7-12(9)18-15(19)10-5-3-8-13(20-2)14(10)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyOEOJQNBTWUNFNK-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.60
Rot. Bonds3

About 2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide

2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide (PubChem CID 107623964) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide
PubChem CID107623964
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cccc(Br)c2C)c1N
InChIInChI=1S/C15H15BrN2O2/c1-9-11(16)6-4-7-12(9)18-15(19)10-5-3-8-13(20-2)14(10)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyOEOJQNBTWUNFNK-UHFFFAOYSA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide
CID 102852353
2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide
CID 103410429
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
3-amino-N-(3-bromo-2-methylphenyl)-2-chlorobenzamide
CID 107623979
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
2-amino-6-bromo-N-(2-methoxyphenyl)benzamide
CID 118386970
2-amino-3-methoxy-N-thiophen-3-ylbenzamide
CID 66352284
2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103410417
N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane
CID 91562897
N-(3-bromo-2-methylphenyl)-2,5-dimethylbenzamide
CID 113230260
N-(2-bromophenyl)-2-fluoro-6-methoxybenzamide
CID 65432090
4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 78987526

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide?
The IUPAC name of 2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide (CID 107623964) is 2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide?
The canonical SMILES for 2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2cccc(Br)c2C)c1N.
What is the InChIKey of 2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide?
The InChIKey is OEOJQNBTWUNFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-11(16)6-4-7-12(9)18-15(19)10-5-3-8-13(20-2)14(10)17/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide?
2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide has a molecular weight of 335.20 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 107623964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).