(2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate

C16H16FNO3 — CID 81094701

IUPAC(2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate
SMILESCCOc1cc(N)cc(C(=O)OCc2ccccc2F)c1
InChIInChI=1S/C16H16FNO3/c1-2-20-14-8-12(7-13(18)9-14)16(19)21-10-11-5-3-4-6-15(11)17/h3-9H,2,10,18H2,1H3
InChIKeyZEIOAFZVQPZXCX-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.16
Rot. Bonds5

About (2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate

(2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate (PubChem CID 81094701) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate
PubChem CID81094701
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name(2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate
SMILESCCOc1cc(N)cc(C(=O)OCc2ccccc2F)c1
InChIInChI=1S/C16H16FNO3/c1-2-20-14-8-12(7-13(18)9-14)16(19)21-10-11-5-3-4-6-15(11)17/h3-9H,2,10,18H2,1H3
InChIKeyZEIOAFZVQPZXCX-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

(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
CID 23993945
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
methyl 3-amino-5-ethoxybenzoate
CID 45089063
(5-ethylthiophen-2-yl)methyl 3-amino-5-ethoxybenzoate
CID 81095015
2-(3-amino-5-ethoxybenzoyl)oxyacetic acid
CID 81091355
(2-ethoxy-2-oxoethyl) 3-amino-5-ethoxybenzoate
CID 81092527
(5-bromo-2-fluorophenyl)methyl 3-amino-5-methoxybenzoate
CID 81094852
ethyl 4-amino-3-[(2-fluorophenyl)methoxy]benzoate
CID 82778634
(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate
CID 52515102
(2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 63283831
2-hydroxypropyl 3-amino-5-ethoxybenzoate
CID 81092070
2-(trifluoromethoxy)ethyl 3-amino-5-ethoxybenzoate
CID 81091591

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate?
The IUPAC name of (2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate (CID 81094701) is (2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate?
The canonical SMILES for (2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate is CCOc1cc(N)cc(C(=O)OCc2ccccc2F)c1.
What is the InChIKey of (2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate?
The InChIKey is ZEIOAFZVQPZXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-2-20-14-8-12(7-13(18)9-14)16(19)21-10-11-5-3-4-6-15(11)17/h3-9H,2,10,18H2,1H3.
What are the key properties of (2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate?
(2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate 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 (2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate is sourced from PubChem (CID 81094701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).