N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide

C21H17Cl2FN2OS — CID 20858273

IUPACN-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
SMILESO=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H17Cl2FN2OS/c22-12-5-8-19-15(9-12)21(14-3-1-2-4-18(14)26-19)28-11-20(27)25-13-6-7-17(24)16(23)10-13/h5-10H,1-4,11H2,(H,25,27)
InChIKeyBUYYHSQTTVYBOW-UHFFFAOYSA-N
MW435.35 g/mol
LogP6.29
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide (PubChem CID 20858273) has the molecular formula C21H17Cl2FN2OS and a molecular weight of 435.35 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
PubChem CID20858273
Molecular FormulaC21H17Cl2FN2OS
Molecular Weight435.35 g/mol
Exact Mass434.04
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
SMILESO=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H17Cl2FN2OS/c22-12-5-8-19-15(9-12)21(14-3-1-2-4-18(14)26-19)28-11-20(27)25-13-6-7-17(24)16(23)10-13/h5-10H,1-4,11H2,(H,25,27)
InChIKeyBUYYHSQTTVYBOW-UHFFFAOYSA-N
XLogP6.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.35
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-phenylacetamide
CID 20858401
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-pyridin-3-ylacetamide
CID 20858337
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 20858277
N-(2-chloro-4-methylphenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide
CID 20858397
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 20867716
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 20858393
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(pyridin-2-ylmethyl)acetamide
CID 6622143
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7889926
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-(2,3-dimethylcyclohexyl)acetamide
CID 20858281
2-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-cyclopropylacetamide
CID 131842042
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide
CID 20858323
N-(3-chloro-4-fluorophenyl)-2-[[1-(3-hydroxypropyl)-2-oxo-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]acetamide
CID 41246298

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide (CID 20858273) is N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide is O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide?
The InChIKey is BUYYHSQTTVYBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN2OS/c22-12-5-8-19-15(9-12)21(14-3-1-2-4-18(14)26-19)28-11-20(27)25-13-6-7-17(24)16(23)10-13/h5-10H,1-4,11H2,(H,25,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide has a molecular weight of 435.35 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]acetamide is sourced from PubChem (CID 20858273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).