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

C22H19ClN2O2 — CID 12004933

IUPACN-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)c1
InChIInChI=1S/C22H19ClN2O2/c1-13(26)14-5-4-6-16(11-14)24-22(27)15-9-10-18-20(12-15)25-19-8-3-2-7-17(19)21(18)23/h4-6,9-12H,2-3,7-8H2,1H3,(H,24,27)
InChIKeyRNEDKGKIELXIAV-UHFFFAOYSA-N
MW378.86 g/mol
LogP5.22
Rot. Bonds3

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

N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide (PubChem CID 12004933) has the molecular formula C22H19ClN2O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
PubChem CID12004933
Molecular FormulaC22H19ClN2O2
Molecular Weight378.86 g/mol
Exact Mass378.11
IUPAC NameN-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)c1
InChIInChI=1S/C22H19ClN2O2/c1-13(26)14-5-4-6-16(11-14)24-22(27)15-9-10-18-20(12-15)25-19-8-3-2-7-17(19)21(18)23/h4-6,9-12H,2-3,7-8H2,1H3,(H,24,27)
InChIKeyRNEDKGKIELXIAV-UHFFFAOYSA-N
XLogP5.22
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.86
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-chloro-N-(3-methoxyphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46503398
9-chloro-N-(3-cyanophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257992
9-chloro-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46503395
9-chloro-N-(2-chlorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256308
N-(1,3-benzodioxol-5-yl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256249
ethyl 4-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256310
9-chloro-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257955
9-chloro-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 6619703
9-chloro-N-(2-chloro-3-pyridinyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
CID 46256306
9-chloro-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-6-carboxamide
CID 46257991
ethyl 2-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256250
N-(3-acetylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 9095690

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide (CID 12004933) is N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)c1.
What is the InChIKey of N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide?
The InChIKey is RNEDKGKIELXIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2/c1-13(26)14-5-4-6-16(11-14)24-22(27)15-9-10-18-20(12-15)25-19-8-3-2-7-17(19)21(18)23/h4-6,9-12H,2-3,7-8H2,1H3,(H,24,27).
What are the key properties of N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide?
N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carboxamide is sourced from PubChem (CID 12004933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).