2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide

C17H16ClF2NOS — CID 94726162

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CSCc1c(F)cccc1Cl)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16ClF2NOS/c18-15-2-1-3-16(20)14(15)10-23-11-17(22)21-9-8-12-4-6-13(19)7-5-12/h1-7H,8-11H2,(H,21,22)
InChIKeyAEDUVEDDTUKCHD-UHFFFAOYSA-N
MW355.84 g/mol
LogP4.21
Rot. Bonds7

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 94726162) has the molecular formula C17H16ClF2NOS and a molecular weight of 355.84 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID94726162
Molecular FormulaC17H16ClF2NOS
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(CSCc1c(F)cccc1Cl)NCCc1ccc(F)cc1
InChIInChI=1S/C17H16ClF2NOS/c18-15-2-1-3-16(20)14(15)10-23-11-17(22)21-9-8-12-4-6-13(19)7-5-12/h1-7H,8-11H2,(H,21,22)
InChIKeyAEDUVEDDTUKCHD-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2243188
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 3899059
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 2301974
N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
CID 4240546
2,6-dichloro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 1122033
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-phenylacetamide
CID 3486493
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 2177503
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7769079
2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide
CID 2235778
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718315
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 100635401
(2-chloro-6-fluorophenyl)methyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-methylazanium
CID 9197406

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 94726162) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(CSCc1c(F)cccc1Cl)NCCc1ccc(F)cc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is AEDUVEDDTUKCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NOS/c18-15-2-1-3-16(20)14(15)10-23-11-17(22)21-9-8-12-4-6-13(19)7-5-12/h1-7H,8-11H2,(H,21,22).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 355.84 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 94726162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).