[2-(2-fluoroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

C19H14FNO4 — CID 2097348

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2cc1O)Nc1ccccc1F
InChIInChI=1S/C19H14FNO4/c20-15-7-3-4-8-16(15)21-18(23)11-25-19(24)14-9-12-5-1-2-6-13(12)10-17(14)22/h1-10,22H,11H2,(H,21,23)
InChIKeyILPWOFWCNNRBGH-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.48
Rot. Bonds4

About [2-(2-fluoroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

[2-(2-fluoroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (PubChem CID 2097348) has the molecular formula C19H14FNO4 and a molecular weight of 339.32 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
PubChem CID2097348
Molecular FormulaC19H14FNO4
Molecular Weight339.32 g/mol
Exact Mass339.09
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2cc1O)Nc1ccccc1F
InChIInChI=1S/C19H14FNO4/c20-15-7-3-4-8-16(15)21-18(23)11-25-19(24)14-9-12-5-1-2-6-13(12)10-17(14)22/h1-10,22H,11H2,(H,21,23)
InChIKeyILPWOFWCNNRBGH-UHFFFAOYSA-N
XLogP3.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 67274
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C.I. 37505
CID 66719
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CID 78443
3-Hydroxy-2-naphtho-o-phenetidide
CID 66716
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-
CID 67273
3-Hydroxy-4'-methyl-2-naphthanilide
CID 77215
2-[(2-naphthalen-2-yloxyacetyl)amino]benzoic Acid
CID 950383
2-Naphthalenecarboxamide, N-(2-ethylphenyl)-3-hydroxy-
CID 111744
N-(4-hydroxyphenyl)-3-methoxy-2-naphthalenecarboxamide
CID 808688
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-hydroxyphenyl)-
CID 85336
1-(4-Morpholinophenylamino)-1-oxopropan-2-yl 1-hydroxy-2-naphthoate
CID 24344410

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (CID 2097348) is [2-(2-fluoroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is O=C(COC(=O)c1cc2ccccc2cc1O)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is ILPWOFWCNNRBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO4/c20-15-7-3-4-8-16(15)21-18(23)11-25-19(24)14-9-12-5-1-2-6-13(12)10-17(14)22/h1-10,22H,11H2,(H,21,23).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
[2-(2-fluoroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 339.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 2097348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).