4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide

C16H17FN2O2 — CID 107655446

IUPAC4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide
SMILESCCNC(=O)c1ccc(N)c(Oc2cccc(C)c2F)c1
InChIInChI=1S/C16H17FN2O2/c1-3-19-16(20)11-7-8-12(18)14(9-11)21-13-6-4-5-10(2)15(13)17/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyGAKWVSHNCVQUCW-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.26
Rot. Bonds4

About 4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide

4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide (PubChem CID 107655446) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide
PubChem CID107655446
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide
SMILESCCNC(=O)c1ccc(N)c(Oc2cccc(C)c2F)c1
InChIInChI=1S/C16H17FN2O2/c1-3-19-16(20)11-7-8-12(18)14(9-11)21-13-6-4-5-10(2)15(13)17/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyGAKWVSHNCVQUCW-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide?
The IUPAC name of 4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide (CID 107655446) is 4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide is CCNC(=O)c1ccc(N)c(Oc2cccc(C)c2F)c1.
What is the InChIKey of 4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide?
The InChIKey is GAKWVSHNCVQUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-3-19-16(20)11-7-8-12(18)14(9-11)21-13-6-4-5-10(2)15(13)17/h4-9H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide?
4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide has a molecular weight of 288.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide is sourced from PubChem (CID 107655446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).