[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate

C18H18FNO4 — CID 8581743

IUPAC[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NCCc2ccccc2F)c(O)c1
InChIInChI=1S/C18H18FNO4/c1-12-6-7-14(16(21)10-12)18(23)24-11-17(22)20-9-8-13-4-2-3-5-15(13)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)
InChIKeyRJGYQGSRSVRJGZ-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.36
Rot. Bonds6

About [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate (PubChem CID 8581743) has the molecular formula C18H18FNO4 and a molecular weight of 331.34 g/mol. Its IUPAC name is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
PubChem CID8581743
Molecular FormulaC18H18FNO4
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)NCCc2ccccc2F)c(O)c1
InChIInChI=1S/C18H18FNO4/c1-12-6-7-14(16(21)10-12)18(23)24-11-17(22)20-9-8-13-4-2-3-5-15(13)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)
InChIKeyRJGYQGSRSVRJGZ-UHFFFAOYSA-N
XLogP2.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate 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-fluoroanilino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611829
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8625292
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290698
[2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611578
[2-(hexylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 8581763
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 9008807
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8646371
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 3-fluorobenzoate
CID 9198596
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-ethylbenzoate
CID 9230111
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771265
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203338
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7290832

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate (CID 8581743) is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The canonical SMILES for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCC(=O)NCCc2ccccc2F)c(O)c1.
What is the InChIKey of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
The InChIKey is RJGYQGSRSVRJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4/c1-12-6-7-14(16(21)10-12)18(23)24-11-17(22)20-9-8-13-4-2-3-5-15(13)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22).
What are the key properties of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate?
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate has a molecular weight of 331.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 8581743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).