[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate

C18H17Cl2NO3 — CID 7724950

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESCc1cccc(NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C18H17Cl2NO3/c1-11-4-3-5-16(12(11)2)21-17(22)10-24-18(23)9-13-6-7-14(19)15(20)8-13/h3-8H,9-10H2,1-2H3,(H,21,22)
InChIKeyWQAIQUQWCPINRY-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.33
Rot. Bonds5

About [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (PubChem CID 7724950) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
PubChem CID7724950
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESCc1cccc(NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)c1C
InChIInChI=1S/C18H17Cl2NO3/c1-11-4-3-5-16(12(11)2)21-17(22)10-24-18(23)9-13-6-7-14(19)15(20)8-13/h3-8H,9-10H2,1-2H3,(H,21,22)
InChIKeyWQAIQUQWCPINRY-UHFFFAOYSA-N
XLogP4.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822788
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792790
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(3,4-dichlorophenyl)acetate
CID 7725051
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 7825839
[2-(2-nitroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 40669347
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968949
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556272
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724605
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633220
[2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514718
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-(4-chloro-3-methylphenoxy)butanoate
CID 7199775

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (CID 7724950) is [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is Cc1cccc(NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The InChIKey is WQAIQUQWCPINRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-11-4-3-5-16(12(11)2)21-17(22)10-24-18(23)9-13-6-7-14(19)15(20)8-13/h3-8H,9-10H2,1-2H3,(H,21,22).
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate has a molecular weight of 366.24 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 7724950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).