ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate

C16H16FNO3 — CID 82778634

IUPACethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(N)c(OCc2ccccc2F)c1
InChIInChI=1S/C16H16FNO3/c1-2-20-16(19)11-7-8-14(18)15(9-11)21-10-12-5-3-4-6-13(12)17/h3-9H,2,10,18H2,1H3
InChIKeyFJRCQOGDFZVGSX-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.16
Rot. Bonds5

About ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate

ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate (PubChem CID 82778634) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate
PubChem CID82778634
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Nameethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(N)c(OCc2ccccc2F)c1
InChIInChI=1S/C16H16FNO3/c1-2-20-16(19)11-7-8-14(18)15(9-11)21-10-12-5-3-4-6-13(12)17/h3-9H,2,10,18H2,1H3
InChIKeyFJRCQOGDFZVGSX-UHFFFAOYSA-N
XLogP3.16
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.16
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 4-amino-3-phenylmethoxybenzoate
CID 79021529
propyl 4-amino-3-[(2-methylphenyl)methoxy]benzoate
CID 82057509
4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide
CID 82069752
ethyl 4-amino-3-(2,2-difluoroethoxy)benzoate
CID 82796062
(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate
CID 52515102
(2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 63283831
ethyl 4-methoxy-3-[(2-methylphenyl)methoxy]benzoate
CID 91681650
ethyl 3-bromo-5-chloro-4-[(2-fluorophenyl)methoxy]benzoate
CID 91685967
(2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate
CID 81094701
methyl 4-amino-3-[(5-fluoro-2-methylphenyl)methoxy]benzoate
CID 105372375
2-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 39247930
4-amino-3-[(2-fluorophenyl)methoxy]benzonitrile
CID 113444327

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate?
The IUPAC name of ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate (CID 82778634) is ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate.
What is the SMILES notation for ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate?
The canonical SMILES for ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate is CCOC(=O)c1ccc(N)c(OCc2ccccc2F)c1.
What is the InChIKey of ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate?
The InChIKey is FJRCQOGDFZVGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-2-20-16(19)11-7-8-14(18)15(9-11)21-10-12-5-3-4-6-13(12)17/h3-9H,2,10,18H2,1H3.
What are the key properties of ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate?
ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate has a molecular weight of 289.31 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate is sourced from PubChem (CID 82778634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).