9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide

C20H16ClFN2O — CID 46503395

IUPAC9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc2c(Cl)c3c(nc2c1)CCCC3
InChIInChI=1S/C20H16ClFN2O/c21-19-15-3-1-2-4-17(15)24-18-11-12(5-10-16(18)19)20(25)23-14-8-6-13(22)7-9-14/h5-11H,1-4H2,(H,23,25)
InChIKeyUHTZNSUUHVZKMR-UHFFFAOYSA-N
MW354.81 g/mol
LogP5.16
Rot. Bonds2

About 9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide

9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide (PubChem CID 46503395) has the molecular formula C20H16ClFN2O and a molecular weight of 354.81 g/mol. Its IUPAC name is 9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide.

Molecular Properties

Compound Name9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
PubChem CID46503395
Molecular FormulaC20H16ClFN2O
Molecular Weight354.81 g/mol
Exact Mass354.09
IUPAC Name9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc2c(Cl)c3c(nc2c1)CCCC3
InChIInChI=1S/C20H16ClFN2O/c21-19-15-3-1-2-4-17(15)24-18-11-12(5-10-16(18)19)20(25)23-14-8-6-13(22)7-9-14/h5-11H,1-4H2,(H,23,25)
InChIKeyUHTZNSUUHVZKMR-UHFFFAOYSA-N
XLogP5.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.81
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 6619703
ethyl 4-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256310
N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256249
N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 12004933
9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46503398
9-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256308
9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257955
9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256306
9-chloro-N-(3-cyanophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257992
9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256284
(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 15945471
9-chloro-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 20873749

Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The IUPAC name of 9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide (CID 46503395) is 9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide.
What is the SMILES notation for 9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The canonical SMILES for 9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc2c(Cl)c3c(nc2c1)CCCC3.
What is the InChIKey of 9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The InChIKey is UHTZNSUUHVZKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O/c21-19-15-3-1-2-4-17(15)24-18-11-12(5-10-16(18)19)20(25)23-14-8-6-13(22)7-9-14/h5-11H,1-4H2,(H,23,25).
What are the key properties of 9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide has a molecular weight of 354.81 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide is sourced from PubChem (CID 46503395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).