2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide

C16H13Cl2FN2O2S — CID 7732077

IUPAC2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESO=C(CSCC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1
InChIInChI=1S/C16H13Cl2FN2O2S/c17-10-1-6-14(13(18)7-10)21-16(23)9-24-8-15(22)20-12-4-2-11(19)3-5-12/h1-7H,8-9H2,(H,20,22)(H,21,23)
InChIKeyWPMIIOWKZIHVRL-UHFFFAOYSA-N
MW387.26 g/mol
LogP4.44
Rot. Bonds6

About 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide

2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide (PubChem CID 7732077) has the molecular formula C16H13Cl2FN2O2S and a molecular weight of 387.26 g/mol. Its IUPAC name is 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
PubChem CID7732077
Molecular FormulaC16H13Cl2FN2O2S
Molecular Weight387.26 g/mol
Exact Mass386.01
IUPAC Name2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
SMILESO=C(CSCC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1
InChIInChI=1S/C16H13Cl2FN2O2S/c17-10-1-6-14(13(18)7-10)21-16(23)9-24-8-15(22)20-12-4-2-11(19)3-5-12/h1-7H,8-9H2,(H,20,22)(H,21,23)
InChIKeyWPMIIOWKZIHVRL-UHFFFAOYSA-N
XLogP4.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide (CID 7732077) is 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide is O=C(CSCC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?
The InChIKey is WPMIIOWKZIHVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O2S/c17-10-1-6-14(13(18)7-10)21-16(23)9-24-8-15(22)20-12-4-2-11(19)3-5-12/h1-7H,8-9H2,(H,20,22)(H,21,23).
What are the key properties of 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide?
2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide has a molecular weight of 387.26 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7732077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).