[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate

C18H17Cl2NO3 — CID 7931151

IUPAC[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C18H17Cl2NO3/c1-18(2,12-6-4-3-5-7-12)17(23)24-11-16(22)21-15-9-8-13(19)10-14(15)20/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyKOORAGQNCLHPRZ-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.45
Rot. Bonds5

About [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate

[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate (PubChem CID 7931151) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
PubChem CID7931151
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Name[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C18H17Cl2NO3/c1-18(2,12-6-4-3-5-7-12)17(23)24-11-16(22)21-15-9-8-13(19)10-14(15)20/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyKOORAGQNCLHPRZ-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7931119
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984592
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191503
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984759
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782622
[2-(2,4-dichloroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2343937
N-(2,4-dichlorophenyl)-2-methoxyacetamide
CID 885676
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 7984751
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 17393371
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
N-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 923080

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate (CID 7931151) is [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate.
What is the SMILES notation for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The canonical SMILES for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate is CC(C)(C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
The InChIKey is KOORAGQNCLHPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-18(2,12-6-4-3-5-7-12)17(23)24-11-16(22)21-15-9-8-13(19)10-14(15)20/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate?
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate has a molecular weight of 366.24 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 7931151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).