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

C17H15Cl2NO3 — CID 7723823

IUPAC[2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)c(C)c1
InChIInChI=1S/C17H15Cl2NO3/c1-10-6-7-14(11(2)8-10)20-15(21)9-23-17(22)16-12(18)4-3-5-13(16)19/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyYOQPOPVWDBTHPH-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.41
Rot. Bonds4

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

[2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate (PubChem CID 7723823) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is [2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate.

Molecular Properties

Compound Name[2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
PubChem CID7723823
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name[2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
SMILESCc1ccc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)c(C)c1
InChIInChI=1S/C17H15Cl2NO3/c1-10-6-7-14(11(2)8-10)20-15(21)9-23-17(22)16-12(18)4-3-5-13(16)19/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyYOQPOPVWDBTHPH-UHFFFAOYSA-N
XLogP4.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489040
3-O-[2-(2,4-dimethylanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860621
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723787
[2-[2-(2,4-dimethylphenoxy)ethylamino]-2-oxoethyl] 2,6-dichlorobenzoate
CID 9203133
[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820677
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
N-(3-chloro-2-methylphenyl)-N'-(2,4-dimethylphenyl)propanediamide
CID 108953469
[2-(2,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980751
[2-(2-fluoroanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2356595
[2-(2-bromoanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2396477
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate
CID 7776162
4-O-[2-(2,4-dimethylanilino)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7278743

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate (CID 7723823) is [2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate.
What is the SMILES notation for [2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The canonical SMILES for [2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate is Cc1ccc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
The InChIKey is YOQPOPVWDBTHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c1-10-6-7-14(11(2)8-10)20-15(21)9-23-17(22)16-12(18)4-3-5-13(16)19/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of [2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate?
[2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate has a molecular weight of 352.22 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate is sourced from PubChem (CID 7723823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).