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

C22H20ClFN2O — CID 46256284

IUPAC9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESCCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3)c1ccc(F)cc1
InChIInChI=1S/C22H20ClFN2O/c1-2-26(16-10-8-15(24)9-11-16)22(27)14-7-12-18-20(13-14)25-19-6-4-3-5-17(19)21(18)23/h7-13H,2-6H2,1H3
InChIKeyATWUZWWLOFGPCR-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.57
Rot. Bonds3

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

9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide (PubChem CID 46256284) has the molecular formula C22H20ClFN2O and a molecular weight of 382.87 g/mol. Its IUPAC name is 9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide.

Molecular Properties

Compound Name9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
PubChem CID46256284
Molecular FormulaC22H20ClFN2O
Molecular Weight382.87 g/mol
Exact Mass382.12
IUPAC Name9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide
SMILESCCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3)c1ccc(F)cc1
InChIInChI=1S/C22H20ClFN2O/c1-2-26(16-10-8-15(24)9-11-16)22(27)14-7-12-18-20(13-14)25-19-6-4-3-5-17(19)21(18)23/h7-13H,2-6H2,1H3
InChIKeyATWUZWWLOFGPCR-UHFFFAOYSA-N
XLogP5.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The IUPAC name of 9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide (CID 46256284) is 9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide.
What is the SMILES notation for 9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The canonical SMILES for 9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide is CCN(C(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3)c1ccc(F)cc1.
What is the InChIKey of 9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
The InChIKey is ATWUZWWLOFGPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O/c1-2-26(16-10-8-15(24)9-11-16)22(27)14-7-12-18-20(13-14)25-19-6-4-3-5-17(19)21(18)23/h7-13H,2-6H2,1H3.
What are the key properties of 9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide?
9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide has a molecular weight of 382.87 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-N-ethyl-N-(4-fluorophenyl)-5,6,7,8-tetrahydroacridine-3-carboxamide is sourced from PubChem (CID 46256284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).