2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide

C16H17FN2O2 — CID 81396147

IUPAC2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1cccc(F)c1C
InChIInChI=1S/C16H17FN2O2/c1-3-21-14-9-5-7-12(18)15(14)16(20)19-13-8-4-6-11(17)10(13)2/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyOPZNWMXASSERRP-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.37
Rot. Bonds4

About 2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide

2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide (PubChem CID 81396147) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide
PubChem CID81396147
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1cccc(F)c1C
InChIInChI=1S/C16H17FN2O2/c1-3-21-14-9-5-7-12(18)15(14)16(20)19-13-8-4-6-11(17)10(13)2/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyOPZNWMXASSERRP-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.37
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-bromophenyl)-6-ethoxybenzamide
CID 81410099
2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594556
2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide
CID 81395946
2-amino-6-ethoxy-N-(4-fluoro-3-methylphenyl)benzamide
CID 81394860
2-amino-6-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 63660223
2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide
CID 107624071
2-amino-N-(2-bromo-5-chlorophenyl)-6-ethoxybenzamide
CID 81394707
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-(3,4-dimethyl-1,2-oxazol-5-yl)-6-ethoxybenzamide
CID 81420752
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
N-(2-amino-6-fluorophenyl)-2-ethoxybenzamide
CID 81313737

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide (CID 81396147) is 2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide is CCOc1cccc(N)c1C(=O)Nc1cccc(F)c1C.
What is the InChIKey of 2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide?
The InChIKey is OPZNWMXASSERRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-3-21-14-9-5-7-12(18)15(14)16(20)19-13-8-4-6-11(17)10(13)2/h4-9H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide?
2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide has a molecular weight of 288.32 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 81396147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).