2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-fluorophenyl)acetamide

C21H18ClFN2OS — CID 20867678

IUPAC2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1c2c(nc3cc(Cl)ccc13)CCCC2)Nc1ccccc1F
InChIInChI=1S/C21H18ClFN2OS/c22-13-9-10-15-19(11-13)24-17-7-3-1-5-14(17)21(15)27-12-20(26)25-18-8-4-2-6-16(18)23/h2,4,6,8-11H,1,3,5,7,12H2,(H,25,26)
InChIKeyMYOFIXMIDRODOC-UHFFFAOYSA-N
MW400.91 g/mol
LogP5.64
Rot. Bonds4

About 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-fluorophenyl)acetamide

2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 20867678) has the molecular formula C21H18ClFN2OS and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID20867678
Molecular FormulaC21H18ClFN2OS
Molecular Weight400.91 g/mol
Exact Mass400.08
IUPAC Name2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESO=C(CSc1c2c(nc3cc(Cl)ccc13)CCCC2)Nc1ccccc1F
InChIInChI=1S/C21H18ClFN2OS/c22-13-9-10-15-19(11-13)24-17-7-3-1-5-14(17)21(15)27-12-20(26)25-18-8-4-2-6-16(18)23/h2,4,6,8-11H,1,3,5,7,12H2,(H,25,26)
InChIKeyMYOFIXMIDRODOC-UHFFFAOYSA-N
XLogP5.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-fluorophenyl)acetamide (CID 20867678) is 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-fluorophenyl)acetamide is O=C(CSc1c2c(nc3cc(Cl)ccc13)CCCC2)Nc1ccccc1F.
What is the InChIKey of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is MYOFIXMIDRODOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2OS/c22-13-9-10-15-19(11-13)24-17-7-3-1-5-14(17)21(15)27-12-20(26)25-18-8-4-2-6-16(18)23/h2,4,6,8-11H,1,3,5,7,12H2,(H,25,26).
What are the key properties of 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 400.91 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 20867678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).