2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide

C15H14Br2N2O2 — CID 103410429

IUPAC2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide
SMILESCOc1cc(NC(=O)c2cccc(C)c2N)c(Br)cc1Br
InChIInChI=1S/C15H14Br2N2O2/c1-8-4-3-5-9(14(8)18)15(20)19-12-7-13(21-2)11(17)6-10(12)16/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyKEZTWZQQCPLCEP-UHFFFAOYSA-N
MW414.10 g/mol
LogP4.36
Rot. Bonds3

About 2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide

2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide (PubChem CID 103410429) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide
PubChem CID103410429
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide
SMILESCOc1cc(NC(=O)c2cccc(C)c2N)c(Br)cc1Br
InChIInChI=1S/C15H14Br2N2O2/c1-8-4-3-5-9(14(8)18)15(20)19-12-7-13(21-2)11(17)6-10(12)16/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyKEZTWZQQCPLCEP-UHFFFAOYSA-N
XLogP4.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 54.36
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-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103410417
N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide
CID 103414718
2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide
CID 107623964
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide
CID 103414555
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methylbenzamide
CID 103414573
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide
CID 43805804
N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 107676866
5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103414514
2-amino-N-(3-fluoro-4-methoxyphenyl)-3-methylbenzamide
CID 43380395
N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide
CID 1233587
2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide
CID 43347143
N-(2,4-dibromo-5-methoxyphenyl)-3-sulfanylbenzamide
CID 107037079

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide (CID 103410429) is 2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide is COc1cc(NC(=O)c2cccc(C)c2N)c(Br)cc1Br.
What is the InChIKey of 2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide?
The InChIKey is KEZTWZQQCPLCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c1-8-4-3-5-9(14(8)18)15(20)19-12-7-13(21-2)11(17)6-10(12)16/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide?
2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide has a molecular weight of 414.10 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 103410429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).