[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate

C16H11Cl3FNO3 — CID 7724510

IUPAC[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H11Cl3FNO3/c17-10-2-4-13(20)14(7-10)21-15(22)8-24-16(23)6-9-1-3-11(18)12(19)5-9/h1-5,7H,6,8H2,(H,21,22)
InChIKeyYVYBEKRTTOQTEH-UHFFFAOYSA-N
MW390.63 g/mol
LogP4.51
Rot. Bonds5

About [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (PubChem CID 7724510) has the molecular formula C16H11Cl3FNO3 and a molecular weight of 390.63 g/mol. Its IUPAC name is [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
PubChem CID7724510
Molecular FormulaC16H11Cl3FNO3
Molecular Weight390.63 g/mol
Exact Mass388.98
IUPAC Name[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1F
InChIInChI=1S/C16H11Cl3FNO3/c17-10-2-4-13(20)14(7-10)21-15(22)8-24-16(23)6-9-1-3-11(18)12(19)5-9/h1-5,7H,6,8H2,(H,21,22)
InChIKeyYVYBEKRTTOQTEH-UHFFFAOYSA-N
XLogP4.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.63
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2380295
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2425033
[2-(4-Methylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2335004
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2335922
[2-(4-Ethylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2356404
[2-(2,6-Difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2359467
[2-(2,5-Dichloroanilino)-2-oxoethyl] 2-phenylbutanoate
CID 4345007
[2-(2-Fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2344661
[2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2380699
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2427105
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 4787552
[(4-Fluorophenyl)carbamoyl]methyl 2-(4-chlorophenyl)acetate
CID 2521010

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate (CID 7724510) is [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1F.
What is the InChIKey of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
The InChIKey is YVYBEKRTTOQTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3FNO3/c17-10-2-4-13(20)14(7-10)21-15(22)8-24-16(23)6-9-1-3-11(18)12(19)5-9/h1-5,7H,6,8H2,(H,21,22).
What are the key properties of [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate?
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate has a molecular weight of 390.63 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 7724510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).