3-amino-2-(4-ethylphenoxy)benzamide

C15H16N2O2 — CID 112579580

IUPAC3-amino-2-(4-ethylphenoxy)benzamide
SMILESCCc1ccc(Oc2c(N)cccc2C(N)=O)cc1
InChIInChI=1S/C15H16N2O2/c1-2-10-6-8-11(9-7-10)19-14-12(15(17)18)4-3-5-13(14)16/h3-9H,2,16H2,1H3,(H2,17,18)
InChIKeyRMTXSHJIWVZXIL-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.72
Rot. Bonds4

About 3-amino-2-(4-ethylphenoxy)benzamide

3-amino-2-(4-ethylphenoxy)benzamide (PubChem CID 112579580) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-amino-2-(4-ethylphenoxy)benzamide.

Molecular Properties

Compound Name3-amino-2-(4-ethylphenoxy)benzamide
PubChem CID112579580
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-amino-2-(4-ethylphenoxy)benzamide
SMILESCCc1ccc(Oc2c(N)cccc2C(N)=O)cc1
InChIInChI=1S/C15H16N2O2/c1-2-10-6-8-11(9-7-10)19-14-12(15(17)18)4-3-5-13(14)16/h3-9H,2,16H2,1H3,(H2,17,18)
InChIKeyRMTXSHJIWVZXIL-UHFFFAOYSA-N
XLogP2.72
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.72
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

ethyl 3-amino-2-(4-fluorophenoxy)benzoate
CID 115935610
2-(4-ethylphenoxy)-3-methylbenzenecarbothioamide
CID 107108780
methyl 3-amino-2-(3-ethylphenoxy)benzoate
CID 115935681
2-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91385199
3-amino-2-(3-tert-butylphenoxy)benzamide
CID 115935728
3-amino-2-naphthalen-1-yloxybenzamide
CID 115935620
[3-amino-2-[4-(2-amino-6-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 19828743
3-amino-2-nonoxybenzamide
CID 107873437
ethyl 3-amino-2-(3-methylphenoxy)benzoate
CID 115935608
3-amino-2-(4-cyano-3-fluorophenoxy)benzamide
CID 115935849
2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110587
3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-ethylphenoxy)benzamide?
The IUPAC name of 3-amino-2-(4-ethylphenoxy)benzamide (CID 112579580) is 3-amino-2-(4-ethylphenoxy)benzamide.
What is the SMILES notation for 3-amino-2-(4-ethylphenoxy)benzamide?
The canonical SMILES for 3-amino-2-(4-ethylphenoxy)benzamide is CCc1ccc(Oc2c(N)cccc2C(N)=O)cc1.
What is the InChIKey of 3-amino-2-(4-ethylphenoxy)benzamide?
The InChIKey is RMTXSHJIWVZXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-10-6-8-11(9-7-10)19-14-12(15(17)18)4-3-5-13(14)16/h3-9H,2,16H2,1H3,(H2,17,18).
What are the key properties of 3-amino-2-(4-ethylphenoxy)benzamide?
3-amino-2-(4-ethylphenoxy)benzamide has a molecular weight of 256.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-ethylphenoxy)benzamide is sourced from PubChem (CID 112579580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).