2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide

C18H18ClFN2O2S — CID 2468301

IUPAC2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H18ClFN2O2S/c1-22(18(24)10-12-13(19)6-5-7-14(12)20)11-17(23)21-15-8-3-4-9-16(15)25-2/h3-9H,10-11H2,1-2H3,(H,21,23)
InChIKeyQNOQEFVDTGMFEB-UHFFFAOYSA-N
MW380.87 g/mol
LogP3.84
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide (PubChem CID 2468301) has the molecular formula C18H18ClFN2O2S and a molecular weight of 380.87 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
PubChem CID2468301
Molecular FormulaC18H18ClFN2O2S
Molecular Weight380.87 g/mol
Exact Mass380.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H18ClFN2O2S/c1-22(18(24)10-12-13(19)6-5-7-14(12)20)11-17(23)21-15-8-3-4-9-16(15)25-2/h3-9H,10-11H2,1-2H3,(H,21,23)
InChIKeyQNOQEFVDTGMFEB-UHFFFAOYSA-N
XLogP3.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide (CID 2468301) is 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide is CSc1ccccc1NC(=O)CN(C)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide?
The InChIKey is QNOQEFVDTGMFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2S/c1-22(18(24)10-12-13(19)6-5-7-14(12)20)11-17(23)21-15-8-3-4-9-16(15)25-2/h3-9H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide has a molecular weight of 380.87 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 2468301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).