ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate

C15H13F2NO3 — CID 63269663

IUPACethyl 2-amino-5-(2,5-difluorophenoxy)benzoate
SMILESCCOC(=O)c1cc(Oc2cc(F)ccc2F)ccc1N
InChIInChI=1S/C15H13F2NO3/c1-2-20-15(19)11-8-10(4-6-13(11)18)21-14-7-9(16)3-5-12(14)17/h3-8H,2,18H2,1H3
InChIKeyGJTQDWBHINEDFM-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.52
Rot. Bonds4

About ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate

ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate (PubChem CID 63269663) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-(2,5-difluorophenoxy)benzoate
PubChem CID63269663
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Nameethyl 2-amino-5-(2,5-difluorophenoxy)benzoate
SMILESCCOC(=O)c1cc(Oc2cc(F)ccc2F)ccc1N
InChIInChI=1S/C15H13F2NO3/c1-2-20-15(19)11-8-10(4-6-13(11)18)21-14-7-9(16)3-5-12(14)17/h3-8H,2,18H2,1H3
InChIKeyGJTQDWBHINEDFM-UHFFFAOYSA-N
XLogP3.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.52
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 2-amino-5-(2-chloro-4-fluorophenoxy)benzoate
CID 63423263
4-(2,5-difluorophenoxy)-2-methylaniline
CID 63268652
ethyl 2-amino-5-(4-methylphenoxy)benzoate
CID 63423730
ethyl 2-amino-5-(4-bromophenoxy)benzoate
CID 63423182
ethyl 2-amino-5-(2-cyanophenoxy)benzoate
CID 61305610
ethyl 2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62059327
ethyl 2-(3,4-difluorophenoxy)benzoate
CID 175272248
ethyl 5-(4-bromophenoxy)-2-fluorobenzoate
CID 164893643
1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone
CID 113433083
ethyl 2-amino-5-(3,4-difluorophenyl)sulfanylbenzoate
CID 63423696
(2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 62197226
2-bromo-4-(2,5-difluorophenoxy)benzoic acid
CID 107282547

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate?
The IUPAC name of ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate (CID 63269663) is ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate.
What is the SMILES notation for ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate?
The canonical SMILES for ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate is CCOC(=O)c1cc(Oc2cc(F)ccc2F)ccc1N.
What is the InChIKey of ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate?
The InChIKey is GJTQDWBHINEDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c1-2-20-15(19)11-8-10(4-6-13(11)18)21-14-7-9(16)3-5-12(14)17/h3-8H,2,18H2,1H3.
What are the key properties of ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate?
ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate has a molecular weight of 293.27 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate is sourced from PubChem (CID 63269663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).