2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate

C15H13ClFNO3 — CID 31149133

IUPAC2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate
SMILESNc1c(Cl)cccc1C(=O)OCCOc1ccccc1F
InChIInChI=1S/C15H13ClFNO3/c16-11-5-3-4-10(14(11)18)15(19)21-9-8-20-13-7-2-1-6-12(13)17/h1-7H,8-9,18H2
InChIKeyUKYSYLGAQFWRPP-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.30
Rot. Bonds5

About 2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate

2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate (PubChem CID 31149133) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate
PubChem CID31149133
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Name2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate
SMILESNc1c(Cl)cccc1C(=O)OCCOc1ccccc1F
InChIInChI=1S/C15H13ClFNO3/c16-11-5-3-4-10(14(11)18)15(19)21-9-8-20-13-7-2-1-6-12(13)17/h1-7H,8-9,18H2
InChIKeyUKYSYLGAQFWRPP-UHFFFAOYSA-N
XLogP3.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenoxy)ethyl 2-chloro-5-methylsulfonylbenzoate
CID 7725840
(4-fluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279798
prop-2-ynyl 2-amino-3-chlorobenzoate
CID 131036184
(2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115547754
2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate
CID 7865480
2-pyridin-4-ylethyl 2-amino-3-chlorobenzoate
CID 115547803
2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate
CID 39902767
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797
2-(2-fluorophenoxy)ethyl 4-methylbenzoate
CID 2363713
nonyl 2-amino-3-chlorobenzoate
CID 115547766
2-(2-fluorophenoxy)ethyl 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 3281328
2-O-[2-(2-chlorophenoxy)ethyl] 1-O-octyl benzene-1,2-dicarboxylate
CID 91731823

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate (CID 31149133) is 2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate is Nc1c(Cl)cccc1C(=O)OCCOc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate?
The InChIKey is UKYSYLGAQFWRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c16-11-5-3-4-10(14(11)18)15(19)21-9-8-20-13-7-2-1-6-12(13)17/h1-7H,8-9,18H2.
What are the key properties of 2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate?
2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate has a molecular weight of 309.72 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate is sourced from PubChem (CID 31149133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).