methyl 2-[(5-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate

C16H16FNO4 — CID 58370274

IUPACmethyl 2-[(5-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc2c(F)cccc2c1O
InChIInChI=1S/C16H16FNO4/c1-16(2,15(21)22-3)18-14(20)11-8-7-9-10(13(11)19)5-4-6-12(9)17/h4-8,19H,1-3H3,(H,18,20)
InChIKeyUWRIHQAAGMRKDA-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.37
Rot. Bonds3

About methyl 2-[(5-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate

methyl 2-[(5-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate (PubChem CID 58370274) has the molecular formula C16H16FNO4 and a molecular weight of 305.31 g/mol. Its IUPAC name is methyl 2-[(5-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(5-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate
PubChem CID58370274
Molecular FormulaC16H16FNO4
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC Namemethyl 2-[(5-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc2c(F)cccc2c1O
InChIInChI=1S/C16H16FNO4/c1-16(2,15(21)22-3)18-14(20)11-8-7-9-10(13(11)19)5-4-6-12(9)17/h4-8,19H,1-3H3,(H,18,20)
InChIKeyUWRIHQAAGMRKDA-UHFFFAOYSA-N
XLogP2.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(5-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate (CID 58370274) is methyl 2-[(5-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(5-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(5-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1ccc2c(F)cccc2c1O.
What is the InChIKey of methyl 2-[(5-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate?
The InChIKey is UWRIHQAAGMRKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4/c1-16(2,15(21)22-3)18-14(20)11-8-7-9-10(13(11)19)5-4-6-12(9)17/h4-8,19H,1-3H3,(H,18,20).
What are the key properties of methyl 2-[(5-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate?
methyl 2-[(5-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate has a molecular weight of 305.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-fluoro-1-hydroxynaphthalene-2-carbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 58370274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).