(2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate

C15H13F2NO3 — CID 62197226

IUPAC(2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate
SMILESCOc1ccc(N)c(C(=O)OCc2ccc(F)cc2F)c1
InChIInChI=1S/C15H13F2NO3/c1-20-11-4-5-14(18)12(7-11)15(19)21-8-9-2-3-10(16)6-13(9)17/h2-7H,8,18H2,1H3
InChIKeySWZGRPPQAFNEHG-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.91
Rot. Bonds4

About (2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate

(2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate (PubChem CID 62197226) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is (2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate.

Molecular Properties

Compound Name(2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate
PubChem CID62197226
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name(2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate
SMILESCOc1ccc(N)c(C(=O)OCc2ccc(F)cc2F)c1
InChIInChI=1S/C15H13F2NO3/c1-20-11-4-5-14(18)12(7-11)15(19)21-8-9-2-3-10(16)6-13(9)17/h2-7H,8,18H2,1H3
InChIKeySWZGRPPQAFNEHG-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate 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-5-methoxybenzoate
CID 61321680
(2-fluoro-4-methoxyphenyl)methyl 2,4-diaminobenzoate
CID 102878337
(3-chloro-2-fluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 102858198
(4-cyano-2-fluorophenyl)methyl 2-amino-5-fluorobenzoate
CID 60731052
(2,4-difluorophenyl)methyl 3-amino-5-bromo-2-methylbenzoate
CID 107873911
(2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate
CID 102878330
(2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate
CID 62197080
(2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 102878422
1-(2-amino-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114863532
methyl 2-amino-5-methoxybenzoate
CID 13052275
propyl 2-amino-5-methoxybenzoate
CID 60837149
(2-chloro-5-fluorophenyl)methyl 2-amino-5-chlorobenzoate
CID 102619590

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate?
The IUPAC name of (2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate (CID 62197226) is (2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate.
What is the SMILES notation for (2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate?
The canonical SMILES for (2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate is COc1ccc(N)c(C(=O)OCc2ccc(F)cc2F)c1.
What is the InChIKey of (2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate?
The InChIKey is SWZGRPPQAFNEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c1-20-11-4-5-14(18)12(7-11)15(19)21-8-9-2-3-10(16)6-13(9)17/h2-7H,8,18H2,1H3.
What are the key properties of (2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate?
(2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate has a molecular weight of 293.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate is sourced from PubChem (CID 62197226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).