(2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate

C15H14FNO3 — CID 102878330

IUPAC(2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate
SMILESCOc1ccc(COC(=O)c2ccc(N)cc2)c(F)c1
InChIInChI=1S/C15H14FNO3/c1-19-13-7-4-11(14(16)8-13)9-20-15(18)10-2-5-12(17)6-3-10/h2-8H,9,17H2,1H3
InChIKeyYVDNCTDDNMIVPF-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.77
Rot. Bonds4

About (2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate

(2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate (PubChem CID 102878330) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate
PubChem CID102878330
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name(2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate
SMILESCOc1ccc(COC(=O)c2ccc(N)cc2)c(F)c1
InChIInChI=1S/C15H14FNO3/c1-19-13-7-4-11(14(16)8-13)9-20-15(18)10-2-5-12(17)6-3-10/h2-8H,9,17H2,1H3
InChIKeyYVDNCTDDNMIVPF-UHFFFAOYSA-N
XLogP2.77
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.77
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-fluoro-4-methoxyphenyl)methyl 2,4-diaminobenzoate
CID 102878337
(2,4-difluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 62197226
(2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 102878422
(2,4-difluorophenyl)methyl 3-amino-4-methoxybenzoate
CID 62197080
(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
CID 23993945
(2-methoxy-5-methylphenyl)methyl 4-aminobenzoate
CID 60730788
4-[(2-amino-4-methoxyphenoxy)methyl]-3-fluorobenzamide
CID 24697423
(4-chloro-2-fluorophenyl)methyl 3,5-diaminobenzoate
CID 114857676
1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone
CID 159564102
4-bromo-3-[(2-fluoro-4-methoxyphenyl)methoxy]aniline
CID 103009094
dimethyl 2-[(2-fluoro-4-methoxyphenyl)methyl]propanedioate
CID 102880094
ethyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrazole-4-carboxylate
CID 102877159

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate?
The IUPAC name of (2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate (CID 102878330) is (2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate is COc1ccc(COC(=O)c2ccc(N)cc2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate?
The InChIKey is YVDNCTDDNMIVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-19-13-7-4-11(14(16)8-13)9-20-15(18)10-2-5-12(17)6-3-10/h2-8H,9,17H2,1H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate?
(2-fluoro-4-methoxyphenyl)methyl 4-aminobenzoate has a molecular weight of 275.28 g/mol, XLogP of 2.77, 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 4-aminobenzoate is sourced from PubChem (CID 102878330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).