(2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate

C14H10ClF2NO2 — CID 115547754

IUPAC(2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate
SMILESNc1c(Cl)cccc1C(=O)OCc1cc(F)ccc1F
InChIInChI=1S/C14H10ClF2NO2/c15-11-3-1-2-10(13(11)18)14(19)20-7-8-6-9(16)4-5-12(8)17/h1-6H,7,18H2
InChIKeyXNDFBQXNMTZCEH-UHFFFAOYSA-N
MW297.69 g/mol
LogP3.56
Rot. Bonds3

About (2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate

(2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate (PubChem CID 115547754) has the molecular formula C14H10ClF2NO2 and a molecular weight of 297.69 g/mol. Its IUPAC name is (2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate.

Molecular Properties

Compound Name(2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate
PubChem CID115547754
Molecular FormulaC14H10ClF2NO2
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC Name(2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate
SMILESNc1c(Cl)cccc1C(=O)OCc1cc(F)ccc1F
InChIInChI=1S/C14H10ClF2NO2/c15-11-3-1-2-10(13(11)18)14(19)20-7-8-6-9(16)4-5-12(8)17/h1-6H,7,18H2
InChIKeyXNDFBQXNMTZCEH-UHFFFAOYSA-N
XLogP3.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-fluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279798
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797
(2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 102878422
(3-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 115279805
(2-chloro-5-fluorophenyl)methyl 2-amino-5-chlorobenzoate
CID 102619590
(5-fluoro-2-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 105374623
(2,5-difluorophenyl)methyl carbonochloridate
CID 83820147
prop-2-ynyl 2-amino-3-chlorobenzoate
CID 131036184
2-(2-fluorophenoxy)ethyl 2-amino-3-chlorobenzoate
CID 31149133
2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid
CID 78975229
(2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate
CID 113400401
(5-bromo-2-fluorophenyl)methyl 5-amino-2-chlorobenzoate
CID 61321831

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate?
The IUPAC name of (2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate (CID 115547754) is (2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate.
What is the SMILES notation for (2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate?
The canonical SMILES for (2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate is Nc1c(Cl)cccc1C(=O)OCc1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate?
The InChIKey is XNDFBQXNMTZCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO2/c15-11-3-1-2-10(13(11)18)14(19)20-7-8-6-9(16)4-5-12(8)17/h1-6H,7,18H2.
What are the key properties of (2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate?
(2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate has a molecular weight of 297.69 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate is sourced from PubChem (CID 115547754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).