3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide

C15H14F2N2O2 — CID 82990957

IUPAC3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Oc2cc(F)cc(F)c2)c(N)c1
InChIInChI=1S/C15H14F2N2O2/c1-2-19-15(20)9-3-4-14(13(18)5-9)21-12-7-10(16)6-11(17)8-12/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyZLYOQZUELWNSJN-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.09
Rot. Bonds4

About 3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide

3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide (PubChem CID 82990957) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide
PubChem CID82990957
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Oc2cc(F)cc(F)c2)c(N)c1
InChIInChI=1S/C15H14F2N2O2/c1-2-19-15(20)9-3-4-14(13(18)5-9)21-12-7-10(16)6-11(17)8-12/h3-8H,2,18H2,1H3,(H,19,20)
InChIKeyZLYOQZUELWNSJN-UHFFFAOYSA-N
XLogP3.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.09
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-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide
CID 82990983
3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide
CID 82990981
3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide
CID 116800376
3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide
CID 82990978
4-amino-3-(3,5-difluoroanilino)-N-ethylbenzamide
CID 63361087
3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide
CID 82070214
3-amino-N-methyl-4-(4-propylphenoxy)benzamide
CID 82992638
3-amino-4-(3,5-dimethylphenoxy)-N-methylbenzamide
CID 83000237
3-amino-4-(4-ethoxyphenoxy)-N-methylbenzamide
CID 82992417
4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide
CID 107655446
3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide
CID 106446783
3-amino-N-ethyl-4-(furan-2-ylmethoxy)benzamide
CID 82999492

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide?
The IUPAC name of 3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide (CID 82990957) is 3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide is CCNC(=O)c1ccc(Oc2cc(F)cc(F)c2)c(N)c1.
What is the InChIKey of 3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide?
The InChIKey is ZLYOQZUELWNSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-2-19-15(20)9-3-4-14(13(18)5-9)21-12-7-10(16)6-11(17)8-12/h3-8H,2,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide?
3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide has a molecular weight of 292.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide is sourced from PubChem (CID 82990957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).