2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide

C15H14Br2N2O2 — CID 103413096

IUPAC2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide
SMILESCOc1cc(NCc2ccccc2C(N)=O)c(Br)cc1Br
InChIInChI=1S/C15H14Br2N2O2/c1-21-14-7-13(11(16)6-12(14)17)19-8-9-4-2-3-5-10(9)15(18)20/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyPKMWBJWNMVEXEJ-UHFFFAOYSA-N
MW414.10 g/mol
LogP3.93
Rot. Bonds5

About 2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide

2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide (PubChem CID 103413096) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide.

Molecular Properties

Compound Name2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide
PubChem CID103413096
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide
SMILESCOc1cc(NCc2ccccc2C(N)=O)c(Br)cc1Br
InChIInChI=1S/C15H14Br2N2O2/c1-21-14-7-13(11(16)6-12(14)17)19-8-9-4-2-3-5-10(9)15(18)20/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyPKMWBJWNMVEXEJ-UHFFFAOYSA-N
XLogP3.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dimethoxyanilino)methyl]benzamide
CID 28570532
2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline
CID 103412284
2,4-dibromo-N-[(2,3-dichlorophenyl)methyl]-5-methoxyaniline
CID 103412160
2-[(2,4,6-tribromoanilino)methyl]benzamide
CID 28992052
2-[(4-bromo-2-methylanilino)methyl]benzamide
CID 28572427
2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103410417
methyl 2-[(4-bromo-3-methoxyanilino)methyl]benzoate
CID 82859884
4-chloro-2-[(2,4-dibromo-5-methoxyanilino)methyl]phenol
CID 103411754
N-(1-benzothiophen-3-ylmethyl)-2,4-dibromo-5-methoxyaniline
CID 103411269
N-carbamoyl-2-(2,4-dibromo-5-methoxyanilino)acetamide
CID 103412671
N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide
CID 103414718
2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide
CID 28596653

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide?
The IUPAC name of 2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide (CID 103413096) is 2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide.
What is the SMILES notation for 2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide?
The canonical SMILES for 2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide is COc1cc(NCc2ccccc2C(N)=O)c(Br)cc1Br.
What is the InChIKey of 2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide?
The InChIKey is PKMWBJWNMVEXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c1-21-14-7-13(11(16)6-12(14)17)19-8-9-4-2-3-5-10(9)15(18)20/h2-7,19H,8H2,1H3,(H2,18,20).
What are the key properties of 2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide?
2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide has a molecular weight of 414.10 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide is sourced from PubChem (CID 103413096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).