[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate

C17H16Cl2N2O3 — CID 7939503

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O3/c1-21(2)12-8-6-11(7-9-12)17(23)24-10-15(22)20-14-5-3-4-13(18)16(14)19/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyUNJAEGDWADUFLQ-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.85
Rot. Bonds5

About [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate

[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate (PubChem CID 7939503) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
PubChem CID7939503
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O3/c1-21(2)12-8-6-11(7-9-12)17(23)24-10-15(22)20-14-5-3-4-13(18)16(14)19/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyUNJAEGDWADUFLQ-UHFFFAOYSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dichloroanilino)-2-oxoethyl] 4-ethylbenzoate
CID 8015070
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603661
[2-(2-bromoanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519508
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211911
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7668586
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519354
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7668422
N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109010323
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782625
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781202
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1,3-oxazol-5-yl)benzoate
CID 55837261
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 725032

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate (CID 7939503) is [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate?
The InChIKey is UNJAEGDWADUFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-21(2)12-8-6-11(7-9-12)17(23)24-10-15(22)20-14-5-3-4-13(18)16(14)19/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate has a molecular weight of 367.23 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 7939503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).