(4-fluorophenyl)methyl 4-amino-2-methoxybenzoate

C15H14FNO3 — CID 104783988

IUPAC(4-fluorophenyl)methyl 4-amino-2-methoxybenzoate
SMILESCOc1cc(N)ccc1C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3/c1-19-14-8-12(17)6-7-13(14)15(18)20-9-10-2-4-11(16)5-3-10/h2-8H,9,17H2,1H3
InChIKeyNQWPIYZPXSPRRP-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.77
Rot. Bonds4

About (4-fluorophenyl)methyl 4-amino-2-methoxybenzoate

(4-fluorophenyl)methyl 4-amino-2-methoxybenzoate (PubChem CID 104783988) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 4-amino-2-methoxybenzoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 4-amino-2-methoxybenzoate
PubChem CID104783988
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name(4-fluorophenyl)methyl 4-amino-2-methoxybenzoate
SMILESCOc1cc(N)ccc1C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C15H14FNO3/c1-19-14-8-12(17)6-7-13(14)15(18)20-9-10-2-4-11(16)5-3-10/h2-8H,9,17H2,1H3
InChIKeyNQWPIYZPXSPRRP-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

(4-fluorophenyl)methyl 4-amino-2-chlorobenzoate
CID 61236840
(5-bromo-2-fluorophenyl)methyl 4-amino-2-methoxybenzoate
CID 104784155
(4-fluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 61321680
(2-bromophenyl)methyl 4-amino-2-methoxybenzoate
CID 82832102
(4-chlorophenyl)methyl 2-methoxy-4-methylsulfanylbenzoate
CID 23732208
(4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 7290825
(3-bromothiophen-2-yl)methyl 4-amino-2-methoxybenzoate
CID 104784067
(4-methylphenyl)methyl 2,4,5-trimethoxybenzoate
CID 2438152
(4-methoxyphenyl)methyl 5-amino-2-hydroxybenzoate
CID 61303104
(4-methoxyphenyl)methyl 5-amino-2-methylbenzoate
CID 61310472
1-cyanopropyl 4-amino-2-methoxybenzoate
CID 113452675
(4-phenylphenyl)methyl 2-methoxybenzoate
CID 18290046

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 4-amino-2-methoxybenzoate?
The IUPAC name of (4-fluorophenyl)methyl 4-amino-2-methoxybenzoate (CID 104783988) is (4-fluorophenyl)methyl 4-amino-2-methoxybenzoate.
What is the SMILES notation for (4-fluorophenyl)methyl 4-amino-2-methoxybenzoate?
The canonical SMILES for (4-fluorophenyl)methyl 4-amino-2-methoxybenzoate is COc1cc(N)ccc1C(=O)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl 4-amino-2-methoxybenzoate?
The InChIKey is NQWPIYZPXSPRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-19-14-8-12(17)6-7-13(14)15(18)20-9-10-2-4-11(16)5-3-10/h2-8H,9,17H2,1H3.
What are the key properties of (4-fluorophenyl)methyl 4-amino-2-methoxybenzoate?
(4-fluorophenyl)methyl 4-amino-2-methoxybenzoate 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 (4-fluorophenyl)methyl 4-amino-2-methoxybenzoate is sourced from PubChem (CID 104783988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).