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

C16H17FN2O2 — CID 82990983

IUPAC3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide
SMILESCCNC(=O)c1ccc(Oc2ccc(F)cc2C)c(N)c1
InChIInChI=1S/C16H17FN2O2/c1-3-19-16(20)11-4-6-15(13(18)9-11)21-14-7-5-12(17)8-10(14)2/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyFEIRTAJQVFRHKV-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.26
Rot. Bonds4

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

3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide (PubChem CID 82990983) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide
PubChem CID82990983
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide
SMILESCCNC(=O)c1ccc(Oc2ccc(F)cc2C)c(N)c1
InChIInChI=1S/C16H17FN2O2/c1-3-19-16(20)11-4-6-15(13(18)9-11)21-14-7-5-12(17)8-10(14)2/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyFEIRTAJQVFRHKV-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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Related Compounds

3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide
CID 82990981
3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide
CID 82990957
3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide
CID 82990978
3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide
CID 82993340
4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide
CID 107655446
4-amino-3-(2,3-difluorophenoxy)-N-ethylbenzamide
CID 63358780
3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide
CID 82070214
3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide
CID 116800376
methyl 3-amino-4-(2,5-difluorophenoxy)benzoate
CID 63269620
3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 82070377
3-amino-4-(2,5-difluorophenoxy)-N,N-dimethylbenzamide
CID 82992739
3-(2,4-dimethylphenoxy)-N-ethylbenzamide
CID 12941864

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide?
The IUPAC name of 3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide (CID 82990983) is 3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide is CCNC(=O)c1ccc(Oc2ccc(F)cc2C)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide?
The InChIKey is FEIRTAJQVFRHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-3-19-16(20)11-4-6-15(13(18)9-11)21-14-7-5-12(17)8-10(14)2/h4-9H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide?
3-amino-N-ethyl-4-(4-fluoro-2-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 3-amino-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide is sourced from PubChem (CID 82990983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).