[2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate

C20H16FNO3 — CID 2507285

IUPAC[2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate
SMILESCc1ccc(F)cc1NC(=O)COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H16FNO3/c1-13-6-9-17(21)11-18(13)22-19(23)12-25-20(24)16-8-7-14-4-2-3-5-15(14)10-16/h2-11H,12H2,1H3,(H,22,23)
InChIKeyFJQPTSSVTUMHQM-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.08
Rot. Bonds4

About [2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate

[2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate (PubChem CID 2507285) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is [2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate
PubChem CID2507285
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Name[2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate
SMILESCc1ccc(F)cc1NC(=O)COC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H16FNO3/c1-13-6-9-17(21)11-18(13)22-19(23)12-25-20(24)16-8-7-14-4-2-3-5-15(14)10-16/h2-11H,12H2,1H3,(H,22,23)
InChIKeyFJQPTSSVTUMHQM-UHFFFAOYSA-N
XLogP4.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-methoxybenzoate
CID 2510209
[2-(2,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980751
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 18195720
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2571518
[2-(3,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980738
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] naphthalene-2-carboxylate
CID 7698478
[2-(2-methylanilino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386498
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 18085341
methyl 3-[[2-(5-fluoro-2-methylbenzoyl)oxyacetyl]amino]-4-methylbenzoate
CID 17392365
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386534
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 18076307
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553575

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate?
The IUPAC name of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate (CID 2507285) is [2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate.
What is the SMILES notation for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate?
The canonical SMILES for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate is Cc1ccc(F)cc1NC(=O)COC(=O)c1ccc2ccccc2c1.
What is the InChIKey of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate?
The InChIKey is FJQPTSSVTUMHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c1-13-6-9-17(21)11-18(13)22-19(23)12-25-20(24)16-8-7-14-4-2-3-5-15(14)10-16/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of [2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate?
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate has a molecular weight of 337.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methylanilino)-2-oxoethyl] naphthalene-2-carboxylate is sourced from PubChem (CID 2507285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).