[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate

C16H12ClF2NO3 — CID 9007363

IUPAC[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
SMILESO=C(COC(=O)c1c(F)cccc1Cl)NCc1ccccc1F
InChIInChI=1S/C16H12ClF2NO3/c17-11-5-3-7-13(19)15(11)16(22)23-9-14(21)20-8-10-4-1-2-6-12(10)18/h1-7H,8-9H2,(H,20,21)
InChIKeyUPTBPPGZPVYUSO-UHFFFAOYSA-N
MW339.73 g/mol
LogP3.09
Rot. Bonds5

About [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate (PubChem CID 9007363) has the molecular formula C16H12ClF2NO3 and a molecular weight of 339.73 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
PubChem CID9007363
Molecular FormulaC16H12ClF2NO3
Molecular Weight339.73 g/mol
Exact Mass339.05
IUPAC Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
SMILESO=C(COC(=O)c1c(F)cccc1Cl)NCc1ccccc1F
InChIInChI=1S/C16H12ClF2NO3/c17-11-5-3-7-13(19)15(11)16(22)23-9-14(21)20-8-10-4-1-2-6-12(10)18/h1-7H,8-9H2,(H,20,21)
InChIKeyUPTBPPGZPVYUSO-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 34182625
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007208
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203339
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3,5-difluorobenzoate
CID 8807853
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7859063
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-chloro-5-fluoro-4-hydroxybenzoate
CID 99799793
[2-(benzylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489076
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-chlorobenzoate
CID 2624351
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-chloro-6-fluorobenzoate
CID 8863019
[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2356595
[2-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 3638109
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4-difluorobenzoate
CID 2555023

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate (CID 9007363) is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate.
What is the SMILES notation for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The canonical SMILES for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate is O=C(COC(=O)c1c(F)cccc1Cl)NCc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The InChIKey is UPTBPPGZPVYUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2NO3/c17-11-5-3-7-13(19)15(11)16(22)23-9-14(21)20-8-10-4-1-2-6-12(10)18/h1-7H,8-9H2,(H,20,21).
What are the key properties of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate?
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate has a molecular weight of 339.73 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 9007363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).