(2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate

C15H13ClFNO3 — CID 102878422

IUPAC(2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
SMILESCOc1ccc(COC(=O)c2cccc(Cl)c2N)c(F)c1
InChIInChI=1S/C15H13ClFNO3/c1-20-10-6-5-9(13(17)7-10)8-21-15(19)11-3-2-4-12(16)14(11)18/h2-7H,8,18H2,1H3
InChIKeyBXDHTOOALUKWDF-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.43
Rot. Bonds4

About (2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate

(2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate (PubChem CID 102878422) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
PubChem CID102878422
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Name(2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
SMILESCOc1ccc(COC(=O)c2cccc(Cl)c2N)c(F)c1
InChIInChI=1S/C15H13ClFNO3/c1-20-10-6-5-9(13(17)7-10)8-21-15(19)11-3-2-4-12(16)14(11)18/h2-7H,8,18H2,1H3
InChIKeyBXDHTOOALUKWDF-UHFFFAOYSA-N
XLogP3.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.43
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

(2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115547754
(2-fluoro-4-methoxyphenyl)methyl 2,4-diaminobenzoate
CID 102878337
(3-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 115279805
(3-chloro-2-fluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 102858198
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797
(2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate
CID 102878330
(2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 62197226
(2,5-dimethoxyphenyl)methyl 2-chlorobenzoate
CID 60606971
(4-fluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279798
[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluoro-4-methoxybenzoate
CID 8837627
(2-chloro-4-fluorophenyl)methyl 3-methoxybenzoate
CID 2215684
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate?
The IUPAC name of (2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate (CID 102878422) is (2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate is COc1ccc(COC(=O)c2cccc(Cl)c2N)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate?
The InChIKey is BXDHTOOALUKWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-20-10-6-5-9(13(17)7-10)8-21-15(19)11-3-2-4-12(16)14(11)18/h2-7H,8,18H2,1H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate?
(2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate has a molecular weight of 309.72 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate is sourced from PubChem (CID 102878422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).