[2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate

C15H10Cl3NO3 — CID 7723836

IUPAC[2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl3NO3/c16-9-4-6-10(7-5-9)19-13(20)8-22-15(21)14-11(17)2-1-3-12(14)18/h1-7H,8H2,(H,19,20)
InChIKeyMSUPTVLIAIJPOB-UHFFFAOYSA-N
MW358.61 g/mol
LogP4.44
Rot. Bonds4

About [2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate

[2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate (PubChem CID 7723836) has the molecular formula C15H10Cl3NO3 and a molecular weight of 358.61 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
PubChem CID7723836
Molecular FormulaC15H10Cl3NO3
Molecular Weight358.61 g/mol
Exact Mass356.97
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESO=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl3NO3/c16-9-4-6-10(7-5-9)19-13(20)8-22-15(21)14-11(17)2-1-3-12(14)18/h1-7H,8H2,(H,19,20)
InChIKeyMSUPTVLIAIJPOB-UHFFFAOYSA-N
XLogP4.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489040
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723787
(2-anilino-2-oxoethyl) 2-amino-6-chlorobenzoate
CID 63663098
[2-(4-tert-butylanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820713
[2-(3-bromoanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723782
[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2,6-dichlorobenzoate
CID 2489065
[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2356595
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-chloro-6-fluorobenzoate
CID 7820383
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2,6-dichlorobenzoate
CID 16624736
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7859063
[2-(3-acetamidoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820358
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723451

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate (CID 7723836) is [2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate is O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The InChIKey is MSUPTVLIAIJPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO3/c16-9-4-6-10(7-5-9)19-13(20)8-22-15(21)14-11(17)2-1-3-12(14)18/h1-7H,8H2,(H,19,20).
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
[2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate has a molecular weight of 358.61 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 7723836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).