2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide

C15H14BrFN2O2 — CID 81395946

IUPAC2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C15H14BrFN2O2/c1-2-21-13-5-3-4-11(18)14(13)15(20)19-12-8-9(16)6-7-10(12)17/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyXSFOKVXNNFDTJF-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.82
Rot. Bonds4

About 2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide

2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide (PubChem CID 81395946) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide
PubChem CID81395946
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1cc(Br)ccc1F
InChIInChI=1S/C15H14BrFN2O2/c1-2-21-13-5-3-4-11(18)14(13)15(20)19-12-8-9(16)6-7-10(12)17/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyXSFOKVXNNFDTJF-UHFFFAOYSA-N
XLogP3.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.82
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-(2-bromophenyl)-6-ethoxybenzamide
CID 81410099
2-amino-6-ethoxy-N-(4-fluoro-3-methylphenyl)benzamide
CID 81394860
2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594556
2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide
CID 107624071
2-amino-N-(4-bromo-2-methylphenyl)-6-methoxybenzamide
CID 81410020
2-amino-N-(5-bromopyrazin-2-yl)-6-ethoxybenzamide
CID 81420199
2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
CID 81394291
2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
CID 81394623
2-amino-N-(5-bromo-2-cyanophenyl)-6-methoxybenzamide
CID 107796967
3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide
CID 61090839

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide?
The IUPAC name of 2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide (CID 81395946) is 2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide?
The canonical SMILES for 2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide is CCOc1cccc(N)c1C(=O)Nc1cc(Br)ccc1F.
What is the InChIKey of 2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide?
The InChIKey is XSFOKVXNNFDTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-2-21-13-5-3-4-11(18)14(13)15(20)19-12-8-9(16)6-7-10(12)17/h3-8H,2,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide?
2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide has a molecular weight of 353.19 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide is sourced from PubChem (CID 81395946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).