ethyl 3-amino-2-(4-fluorophenoxy)benzoate

C15H14FNO3 — CID 115935610

IUPACethyl 3-amino-2-(4-fluorophenoxy)benzoate
SMILESCCOC(=O)c1cccc(N)c1Oc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3/c1-2-19-15(18)12-4-3-5-13(17)14(12)20-11-8-6-10(16)7-9-11/h3-9H,2,17H2,1H3
InChIKeyXFPHWDACICFVHR-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.38
Rot. Bonds4

About ethyl 3-amino-2-(4-fluorophenoxy)benzoate

ethyl 3-amino-2-(4-fluorophenoxy)benzoate (PubChem CID 115935610) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is ethyl 3-amino-2-(4-fluorophenoxy)benzoate.

Molecular Properties

Compound Nameethyl 3-amino-2-(4-fluorophenoxy)benzoate
PubChem CID115935610
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Nameethyl 3-amino-2-(4-fluorophenoxy)benzoate
SMILESCCOC(=O)c1cccc(N)c1Oc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3/c1-2-19-15(18)12-4-3-5-13(17)14(12)20-11-8-6-10(16)7-9-11/h3-9H,2,17H2,1H3
InChIKeyXFPHWDACICFVHR-UHFFFAOYSA-N
XLogP3.38
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-2-(2,4-difluorophenoxy)benzoate
CID 115935561
ethyl 3-amino-2-(3-methylphenoxy)benzoate
CID 115935608
ethyl 3-amino-2-(2-ethylphenoxy)benzoate
CID 115935732
ethyl 3-amino-2-(2-bromophenoxy)benzoate
CID 115935679
ethyl 3-amino-2-fluorobenzoate
CID 46311258
3-amino-2-(4-ethylphenoxy)benzamide
CID 112579580
ethyl 3-amino-2-(4-fluoro-N-methylanilino)benzoate
CID 115934746
ethyl 3-methyl-2-pyridin-4-yloxybenzoate
CID 140570750
ethyl 2-amino-3-(5-fluoro-2-methylphenoxy)benzoate
CID 102982941
ethyl 3-amino-2-(3-methylbutoxy)benzoate
CID 112579665
ethyl 3-amino-2-hydroxybenzoate;hydrochloride
CID 117046540
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2-(4-fluorophenoxy)benzoate?
The IUPAC name of ethyl 3-amino-2-(4-fluorophenoxy)benzoate (CID 115935610) is ethyl 3-amino-2-(4-fluorophenoxy)benzoate.
What is the SMILES notation for ethyl 3-amino-2-(4-fluorophenoxy)benzoate?
The canonical SMILES for ethyl 3-amino-2-(4-fluorophenoxy)benzoate is CCOC(=O)c1cccc(N)c1Oc1ccc(F)cc1.
What is the InChIKey of ethyl 3-amino-2-(4-fluorophenoxy)benzoate?
The InChIKey is XFPHWDACICFVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-2-19-15(18)12-4-3-5-13(17)14(12)20-11-8-6-10(16)7-9-11/h3-9H,2,17H2,1H3.
What are the key properties of ethyl 3-amino-2-(4-fluorophenoxy)benzoate?
ethyl 3-amino-2-(4-fluorophenoxy)benzoate has a molecular weight of 275.28 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2-(4-fluorophenoxy)benzoate is sourced from PubChem (CID 115935610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).