2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide

C14H12Br2N2O2 — CID 103410417

IUPAC2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2N)c(Br)cc1Br
InChIInChI=1S/C14H12Br2N2O2/c1-20-13-7-12(9(15)6-10(13)16)18-14(19)8-4-2-3-5-11(8)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyZGIUGZOWLWOHAU-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.05
Rot. Bonds3

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

2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide (PubChem CID 103410417) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is 2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide
PubChem CID103410417
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC Name2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccccc2N)c(Br)cc1Br
InChIInChI=1S/C14H12Br2N2O2/c1-20-13-7-12(9(15)6-10(13)16)18-14(19)8-4-2-3-5-11(8)17/h2-7H,17H2,1H3,(H,18,19)
InChIKeyZGIUGZOWLWOHAU-UHFFFAOYSA-N
XLogP4.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.05
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

N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide
CID 103414718
2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide
CID 103410429
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-5-methylbenzamide
CID 103414555
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methylbenzamide
CID 103414573
3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide
CID 103410452
5-bromo-2-chloro-N-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103414514
4-chloro-N-(2,4-dibromo-5-methoxyphenyl)-2-hydroxybenzamide
CID 103414724
6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide
CID 103416721
N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide
CID 43549160
N-(2,4-dibromo-5-methoxyphenyl)-3-sulfanylbenzamide
CID 107037079
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide?
The IUPAC name of 2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide (CID 103410417) is 2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide.
What is the SMILES notation for 2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide?
The canonical SMILES for 2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide is COc1cc(NC(=O)c2ccccc2N)c(Br)cc1Br.
What is the InChIKey of 2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide?
The InChIKey is ZGIUGZOWLWOHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c1-20-13-7-12(9(15)6-10(13)16)18-14(19)8-4-2-3-5-11(8)17/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide?
2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide has a molecular weight of 400.07 g/mol, XLogP of 4.05, 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)benzamide is sourced from PubChem (CID 103410417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).