(2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate

C15H13F2NO3 — CID 62197080

IUPAC(2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccc(F)cc2F)cc1N
InChIInChI=1S/C15H13F2NO3/c1-20-14-5-3-9(6-13(14)18)15(19)21-8-10-2-4-11(16)7-12(10)17/h2-7H,8,18H2,1H3
InChIKeyBVQGCVCBWZLLBB-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.91
Rot. Bonds4

About (2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate

(2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate (PubChem CID 62197080) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is (2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate.

Molecular Properties

Compound Name(2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate
PubChem CID62197080
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name(2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccc(F)cc2F)cc1N
InChIInChI=1S/C15H13F2NO3/c1-20-14-5-3-9(6-13(14)18)15(19)21-8-10-2-4-11(16)7-12(10)17/h2-7H,8,18H2,1H3
InChIKeyBVQGCVCBWZLLBB-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'}

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Related Compounds

(5-fluoro-2-methylphenyl)methyl 3-amino-4-methoxybenzoate
CID 105374614
(2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 62197226
methyl 3-amino-4-[(4-chloro-2-fluorophenyl)methoxy]benzoate
CID 114850858
(2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate
CID 102878330
2-(2,4-difluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 64560034
3-fluoropropyl 3-amino-4-methoxybenzoate
CID 81113544
(4-bromo-2-fluorophenyl)methyl 4-amino-3-methylbenzoate
CID 61320680
(2-fluoro-3-methoxyphenyl)methyl 4-amino-3-methylbenzoate
CID 104794363
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347
methyl 3-amino-4-(2,5-difluorophenoxy)benzoate
CID 63269620
(2-bromo-5-fluorophenyl)methyl 3-amino-4-chlorobenzoate
CID 63450673
(5-fluoro-2-methylphenyl)methyl 4-amino-3-chlorobenzoate
CID 105374664

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate?
The IUPAC name of (2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate (CID 62197080) is (2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate.
What is the SMILES notation for (2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate?
The canonical SMILES for (2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate is COc1ccc(C(=O)OCc2ccc(F)cc2F)cc1N.
What is the InChIKey of (2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate?
The InChIKey is BVQGCVCBWZLLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c1-20-14-5-3-9(6-13(14)18)15(19)21-8-10-2-4-11(16)7-12(10)17/h2-7H,8,18H2,1H3.
What are the key properties of (2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate?
(2,4-difluorophenyl)methyl 3-amino-4-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 3-amino-4-methoxybenzoate is sourced from PubChem (CID 62197080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).