[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate

C16H12Cl3NO4 — CID 7750749

IUPAC[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3NO4/c17-10-1-4-12(5-2-10)23-9-16(22)24-8-15(21)20-14-6-3-11(18)7-13(14)19/h1-7H,8-9H2,(H,20,21)
InChIKeyVHXSDHGQLTVVEB-UHFFFAOYSA-N
MW388.63 g/mol
LogP4.21
Rot. Bonds6

About [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate

[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 7750749) has the molecular formula C16H12Cl3NO4 and a molecular weight of 388.63 g/mol. Its IUPAC name is [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
PubChem CID7750749
Molecular FormulaC16H12Cl3NO4
Molecular Weight388.63 g/mol
Exact Mass386.98
IUPAC Name[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3NO4/c17-10-1-4-12(5-2-10)23-9-16(22)24-8-15(21)20-14-6-3-11(18)7-13(14)19/h1-7H,8-9H2,(H,20,21)
InChIKeyVHXSDHGQLTVVEB-UHFFFAOYSA-N
XLogP4.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.63
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915570
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2507011
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9141284
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7844696
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803951
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 40666473
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 2524042
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 7855164
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 41463972
2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 1034300

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate (CID 7750749) is [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate is O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is VHXSDHGQLTVVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3NO4/c17-10-1-4-12(5-2-10)23-9-16(22)24-8-15(21)20-14-6-3-11(18)7-13(14)19/h1-7H,8-9H2,(H,20,21).
What are the key properties of [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 388.63 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 7750749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).