9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione

C19H17ClFNO2 — CID 23223067

IUPAC9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1ccc(F)c(Cl)c1)C1=C(CCCC1=O)N2
InChIInChI=1S/C19H17ClFNO2/c20-11-9-10(7-8-12(11)21)17-18-13(3-1-5-15(18)23)22-14-4-2-6-16(24)19(14)17/h7-9,17,22H,1-6H2
InChIKeyFFYNWIHCPHPHBG-UHFFFAOYSA-N
MW345.80 g/mol
LogP4.18
Rot. Bonds1

About 9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione

9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (PubChem CID 23223067) has the molecular formula C19H17ClFNO2 and a molecular weight of 345.80 g/mol. Its IUPAC name is 9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.

Molecular Properties

Compound Name9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
PubChem CID23223067
Molecular FormulaC19H17ClFNO2
Molecular Weight345.80 g/mol
Exact Mass345.09
IUPAC Name9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
SMILESO=C1CCCC2=C1C(c1ccc(F)c(Cl)c1)C1=C(CCCC1=O)N2
InChIInChI=1S/C19H17ClFNO2/c20-11-9-10(7-8-12(11)21)17-18-13(3-1-5-15(18)23)22-14-4-2-6-16(24)19(14)17/h7-9,17,22H,1-6H2
InChIKeyFFYNWIHCPHPHBG-UHFFFAOYSA-N
XLogP4.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.80
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione with MolForge

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Related Compounds

5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-2(1H)-pyridinone
CID 3760084
9-Phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 796695
7-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 17060660
9-(3-fluorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 1166347
9-(4-Chlorophenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
CID 623286
7-(2-chlorophenyl)-4-(3-methylphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 17060664
4-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 17312601
4-(3,4-dichlorophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
CID 17312602
4-(4-chlorophenyl)-2-phenyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 46906934
9-(2-Chlorophenyl)-3,4,6,7,9,10-hexahydro-3,3,6,6-tetramethyl-1,8(2H,5H)-acridinedione
CID 1002658
9-(2,4-Dichlorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
CID 982973
9-(3,4-Dichlorophenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 2731354

Frequently Asked Questions

What is the IUPAC name of 9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The IUPAC name of 9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione (CID 23223067) is 9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione.
What is the SMILES notation for 9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The canonical SMILES for 9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is O=C1CCCC2=C1C(c1ccc(F)c(Cl)c1)C1=C(CCCC1=O)N2.
What is the InChIKey of 9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
The InChIKey is FFYNWIHCPHPHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO2/c20-11-9-10(7-8-12(11)21)17-18-13(3-1-5-15(18)23)22-14-4-2-6-16(24)19(14)17/h7-9,17,22H,1-6H2.
What are the key properties of 9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione?
9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione has a molecular weight of 345.80 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-chloro-4-fluorophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione is sourced from PubChem (CID 23223067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).