2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide

C18H17ClFNOS — CID 2823473

IUPAC2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESO=C(CSCc1c(F)cccc1Cl)NC1Cc2ccccc2C1
InChIInChI=1S/C18H17ClFNOS/c19-16-6-3-7-17(20)15(16)10-23-11-18(22)21-14-8-12-4-1-2-5-13(12)9-14/h1-7,14H,8-11H2,(H,21,22)
InChIKeyXVKJLNDQGLXAMW-UHFFFAOYSA-N
MW349.86 g/mol
LogP4.00
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide (PubChem CID 2823473) has the molecular formula C18H17ClFNOS and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
PubChem CID2823473
Molecular FormulaC18H17ClFNOS
Molecular Weight349.86 g/mol
Exact Mass349.07
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESO=C(CSCc1c(F)cccc1Cl)NC1Cc2ccccc2C1
InChIInChI=1S/C18H17ClFNOS/c19-16-6-3-7-17(20)15(16)10-23-11-18(22)21-14-8-12-4-1-2-5-13(12)9-14/h1-7,14H,8-11H2,(H,21,22)
InChIKeyXVKJLNDQGLXAMW-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-cyclohexylacetamide
CID 967744
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
CID 7030009
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 2301974
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(1-phenylpropyl)acetamide
CID 43877007
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 2969276
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30389296
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-piperidin-1-ylethanone
CID 838643
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 94726162
N-(4-chlorocyclohexyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 114297195
2-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 110903629
3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 53278977
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide (CID 2823473) is 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide is O=C(CSCc1c(F)cccc1Cl)NC1Cc2ccccc2C1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
The InChIKey is XVKJLNDQGLXAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNOS/c19-16-6-3-7-17(20)15(16)10-23-11-18(22)21-14-8-12-4-1-2-5-13(12)9-14/h1-7,14H,8-11H2,(H,21,22).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide?
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide has a molecular weight of 349.86 g/mol, XLogP of 4.00, 5 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-(2,3-dihydro-1H-inden-2-yl)acetamide is sourced from PubChem (CID 2823473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).