[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate

C19H13F2NO3 — CID 2555012

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1F)Nc1cccc2ccccc12
InChIInChI=1S/C19H13F2NO3/c20-13-8-9-15(16(21)10-13)19(24)25-11-18(23)22-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,22,23)
InChIKeyWVXVXWJQTVVSRC-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.91
Rot. Bonds4

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate (PubChem CID 2555012) has the molecular formula C19H13F2NO3 and a molecular weight of 341.31 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate
PubChem CID2555012
Molecular FormulaC19H13F2NO3
Molecular Weight341.31 g/mol
Exact Mass341.09
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate
SMILESO=C(COC(=O)c1ccc(F)cc1F)Nc1cccc2ccccc12
InChIInChI=1S/C19H13F2NO3/c20-13-8-9-15(16(21)10-13)19(24)25-11-18(23)22-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,22,23)
InChIKeyWVXVXWJQTVVSRC-UHFFFAOYSA-N
XLogP3.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619913
[2-(2,6-difluoroanilino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555034
2,4-difluoro-N-naphthalen-1-ylbenzamide
CID 2981920
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7468253
[2-(benzylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2338039
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891494
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625283
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate
CID 4257120
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386534
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4801728
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate
CID 23940957
[2-oxo-2-(4-phenoxyanilino)ethyl] 2,4-difluorobenzoate
CID 7951628

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate (CID 2555012) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate is O=C(COC(=O)c1ccc(F)cc1F)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate?
The InChIKey is WVXVXWJQTVVSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO3/c20-13-8-9-15(16(21)10-13)19(24)25-11-18(23)22-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,22,23).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate has a molecular weight of 341.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate is sourced from PubChem (CID 2555012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).