[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate

C19H13ClFNO3 — CID 8619913

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1F)Nc1cccc2ccccc12
InChIInChI=1S/C19H13ClFNO3/c20-13-8-9-16(21)15(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)
InChIKeyXBTJKGAMZUNQCM-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.43
Rot. Bonds4

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate (PubChem CID 8619913) has the molecular formula C19H13ClFNO3 and a molecular weight of 357.77 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
PubChem CID8619913
Molecular FormulaC19H13ClFNO3
Molecular Weight357.77 g/mol
Exact Mass357.06
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1F)Nc1cccc2ccccc12
InChIInChI=1S/C19H13ClFNO3/c20-13-8-9-16(21)15(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)
InChIKeyXBTJKGAMZUNQCM-UHFFFAOYSA-N
XLogP4.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619875
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2555012
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate
CID 2629383
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620033
[2-(2-cyanoanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619878
[2-(2,5-difluoroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620176
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891494
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-iodobenzoate
CID 4257120
[2-(naphthalen-1-ylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7468253
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386534
[2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629644
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3,6-trichlorobenzoate
CID 2400883

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate (CID 8619913) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate is O=C(COC(=O)c1cc(Cl)ccc1F)Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate?
The InChIKey is XBTJKGAMZUNQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFNO3/c20-13-8-9-16(21)15(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] 5-chloro-2-fluorobenzoate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate has a molecular weight of 357.77 g/mol, XLogP of 4.43, 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] 5-chloro-2-fluorobenzoate is sourced from PubChem (CID 8619913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).