methyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate

C18H14FNO3 — CID 59569192

IUPACmethyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate
SMILESCOC(=O)c1cc(Oc2ccc3ccccc3c2)c(F)cc1N
InChIInChI=1S/C18H14FNO3/c1-22-18(21)14-9-17(15(19)10-16(14)20)23-13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,20H2,1H3
InChIKeyBZTHIHDWWPVLKV-UHFFFAOYSA-N
MW311.31 g/mol
LogP4.14
Rot. Bonds3

About methyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate

methyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate (PubChem CID 59569192) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is methyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate
PubChem CID59569192
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Namemethyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate
SMILESCOC(=O)c1cc(Oc2ccc3ccccc3c2)c(F)cc1N
InChIInChI=1S/C18H14FNO3/c1-22-18(21)14-9-17(15(19)10-16(14)20)23-13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,20H2,1H3
InChIKeyBZTHIHDWWPVLKV-UHFFFAOYSA-N
XLogP4.14
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate?
The IUPAC name of methyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate (CID 59569192) is methyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate.
What is the SMILES notation for methyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate?
The canonical SMILES for methyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate is COC(=O)c1cc(Oc2ccc3ccccc3c2)c(F)cc1N.
What is the InChIKey of methyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate?
The InChIKey is BZTHIHDWWPVLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-22-18(21)14-9-17(15(19)10-16(14)20)23-13-7-6-11-4-2-3-5-12(11)8-13/h2-10H,20H2,1H3.
What are the key properties of methyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate?
methyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate has a molecular weight of 311.31 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate is sourced from PubChem (CID 59569192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).