[2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate

C15H10Cl2FNO3 — CID 8619875

IUPAC[2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1F)Nc1ccccc1Cl
InChIInChI=1S/C15H10Cl2FNO3/c16-9-5-6-12(18)10(7-9)15(21)22-8-14(20)19-13-4-2-1-3-11(13)17/h1-7H,8H2,(H,19,20)
InChIKeySRBLLXQPRUCWKR-UHFFFAOYSA-N
MW342.15 g/mol
LogP3.93
Rot. Bonds4

About [2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate

[2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate (PubChem CID 8619875) has the molecular formula C15H10Cl2FNO3 and a molecular weight of 342.15 g/mol. Its IUPAC name is [2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate.

Molecular Properties

Compound Name[2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
PubChem CID8619875
Molecular FormulaC15H10Cl2FNO3
Molecular Weight342.15 g/mol
Exact Mass341.00
IUPAC Name[2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1F)Nc1ccccc1Cl
InChIInChI=1S/C15H10Cl2FNO3/c16-9-5-6-12(18)10(7-9)15(21)22-8-14(20)19-13-4-2-1-3-11(13)17/h1-7H,8H2,(H,19,20)
InChIKeySRBLLXQPRUCWKR-UHFFFAOYSA-N
XLogP3.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.15
LogP ≤ 53.93
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-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-(2-chloroanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 3638109
[2-(2-bromoanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629644
[2-(benzhydrylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619818
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7863056
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8604243
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7809812
[2-(2-carbamoylanilino)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7809950
[2-(2-methoxyanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8629592

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate?
The IUPAC name of [2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate (CID 8619875) is [2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate.
What is the SMILES notation for [2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate?
The canonical SMILES for [2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate is O=C(COC(=O)c1cc(Cl)ccc1F)Nc1ccccc1Cl.
What is the InChIKey of [2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate?
The InChIKey is SRBLLXQPRUCWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FNO3/c16-9-5-6-12(18)10(7-9)15(21)22-8-14(20)19-13-4-2-1-3-11(13)17/h1-7H,8H2,(H,19,20).
What are the key properties of [2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate?
[2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate has a molecular weight of 342.15 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloroanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate is sourced from PubChem (CID 8619875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).