[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate

C17H14Cl2FNO3 — CID 7722923

IUPAC[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1Cl)NCCc1ccc(F)cc1
InChIInChI=1S/C17H14Cl2FNO3/c18-12-3-6-15(19)14(9-12)17(23)24-10-16(22)21-8-7-11-1-4-13(20)5-2-11/h1-6,9H,7-8,10H2,(H,21,22)
InChIKeyGRGNZKPZPWWBLX-UHFFFAOYSA-N
MW370.21 g/mol
LogP3.65
Rot. Bonds6

About [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate (PubChem CID 7722923) has the molecular formula C17H14Cl2FNO3 and a molecular weight of 370.21 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate
PubChem CID7722923
Molecular FormulaC17H14Cl2FNO3
Molecular Weight370.21 g/mol
Exact Mass369.03
IUPAC Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1Cl)NCCc1ccc(F)cc1
InChIInChI=1S/C17H14Cl2FNO3/c18-12-3-6-15(19)14(9-12)17(23)24-10-16(22)21-8-7-11-1-4-13(20)5-2-11/h1-6,9H,7-8,10H2,(H,21,22)
InChIKeyGRGNZKPZPWWBLX-UHFFFAOYSA-N
XLogP3.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 55424719
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3,5-dichlorobenzoate
CID 2364423
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 7863944
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2631006
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2357999
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylbenzoate
CID 7229070
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7975078
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614932
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate
CID 7604407
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8625292
[2-oxo-2-(2-phenylethylamino)ethyl] 2-chloro-5-methylsulfanylbenzoate
CID 2346651

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate?
The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate (CID 7722923) is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate.
What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate?
The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate is O=C(COC(=O)c1cc(Cl)ccc1Cl)NCCc1ccc(F)cc1.
What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate?
The InChIKey is GRGNZKPZPWWBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FNO3/c18-12-3-6-15(19)14(9-12)17(23)24-10-16(22)21-8-7-11-1-4-13(20)5-2-11/h1-6,9H,7-8,10H2,(H,21,22).
What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate?
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate has a molecular weight of 370.21 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2,5-dichlorobenzoate is sourced from PubChem (CID 7722923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).