2-amino-N-(2-bromophenyl)-6-ethoxybenzamide

C15H15BrN2O2 — CID 81410099

IUPAC2-amino-N-(2-bromophenyl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1ccccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-2-20-13-9-5-7-11(17)14(13)15(19)18-12-8-4-3-6-10(12)16/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyGKXMPELBFJWVAI-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.68
Rot. Bonds4

About 2-amino-N-(2-bromophenyl)-6-ethoxybenzamide

2-amino-N-(2-bromophenyl)-6-ethoxybenzamide (PubChem CID 81410099) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-amino-N-(2-bromophenyl)-6-ethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2-bromophenyl)-6-ethoxybenzamide
PubChem CID81410099
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-amino-N-(2-bromophenyl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1ccccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-2-20-13-9-5-7-11(17)14(13)15(19)18-12-8-4-3-6-10(12)16/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyGKXMPELBFJWVAI-UHFFFAOYSA-N
XLogP3.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.68
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-bromo-5-chlorophenyl)-6-ethoxybenzamide
CID 81394707
2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide
CID 81396147
2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide
CID 81395946
2-amino-6-bromo-N-(2-methoxyphenyl)benzamide
CID 118386970
2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide
CID 81420199
2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide
CID 107624071
2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594556
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
CID 81394623
2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
CID 81394291
2-amino-6-ethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 81409659
2-amino-6-ethoxy-N-(2-methylpyrazol-3-yl)benzamide
CID 81420449

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromophenyl)-6-ethoxybenzamide?
The IUPAC name of 2-amino-N-(2-bromophenyl)-6-ethoxybenzamide (CID 81410099) is 2-amino-N-(2-bromophenyl)-6-ethoxybenzamide.
What is the SMILES notation for 2-amino-N-(2-bromophenyl)-6-ethoxybenzamide?
The canonical SMILES for 2-amino-N-(2-bromophenyl)-6-ethoxybenzamide is CCOc1cccc(N)c1C(=O)Nc1ccccc1Br.
What is the InChIKey of 2-amino-N-(2-bromophenyl)-6-ethoxybenzamide?
The InChIKey is GKXMPELBFJWVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-2-20-13-9-5-7-11(17)14(13)15(19)18-12-8-4-3-6-10(12)16/h3-9H,2,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(2-bromophenyl)-6-ethoxybenzamide?
2-amino-N-(2-bromophenyl)-6-ethoxybenzamide has a molecular weight of 335.20 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromophenyl)-6-ethoxybenzamide is sourced from PubChem (CID 81410099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).