4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile

C23H23ClN2O2 — CID 170398588

IUPAC4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile
SMILESCC(=O)c1ccc(OC2CCC3(CC2)CN(c2ccc(C#N)c(Cl)c2)C3)cc1
InChIInChI=1S/C23H23ClN2O2/c1-16(27)17-3-6-20(7-4-17)28-21-8-10-23(11-9-21)14-26(15-23)19-5-2-18(13-25)22(24)12-19/h2-7,12,21H,8-11,14-15H2,1H3
InChIKeyIEJAJEPLZTVIML-UHFFFAOYSA-N
MW394.90 g/mol
LogP5.24
Rot. Bonds4

About 4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile

4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile (PubChem CID 170398588) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is 4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile.

Molecular Properties

Compound Name4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile
PubChem CID170398588
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC Name4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile
SMILESCC(=O)c1ccc(OC2CCC3(CC2)CN(c2ccc(C#N)c(Cl)c2)C3)cc1
InChIInChI=1S/C23H23ClN2O2/c1-16(27)17-3-6-20(7-4-17)28-21-8-10-23(11-9-21)14-26(15-23)19-5-2-18(13-25)22(24)12-19/h2-7,12,21H,8-11,14-15H2,1H3
InChIKeyIEJAJEPLZTVIML-UHFFFAOYSA-N
XLogP5.24
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[1-[4-(2-methylpropanoyl)phenyl]piperidin-4-yl]oxybenzonitrile
CID 162438843
N-[3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)benzamide
CID 176984078
N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-(7-hydroxy-2-azaspiro[3.5]nonan-2-yl)benzamide
CID 176982845
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-(9-hydroxy-2-azaspiro[5.5]undecan-2-yl)pyridazine-3-carboxamide
CID 176986460
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)pyrimidine-5-carboxamide
CID 176982752
2-chloro-4-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 62945565
(4-ethylphenyl) 4-(3-chloro-4-cyanophenoxy)piperidine-1-carboxylate
CID 162438921
4-[3-(3-chloro-4-cyanophenoxy)-8-azabicyclo[3.2.1]octane-8-carbonyl]benzoic acid
CID 170199196
4-(4-acetyl-1,4-diazepan-1-yl)-2-chlorobenzonitrile
CID 62947155
1-(3-chloro-4-cyanophenyl)piperidine-3-carboxylic acid
CID 62944659
4-[4-(2-bromoacetyl)cyclohexyl]oxy-2-chlorobenzonitrile
CID 134441275
2-chloro-4-(2,2,4,4-tetramethylcyclobutyl)oxybenzonitrile;ethane;4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 171081062

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile?
The IUPAC name of 4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile (CID 170398588) is 4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile.
What is the SMILES notation for 4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile?
The canonical SMILES for 4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile is CC(=O)c1ccc(OC2CCC3(CC2)CN(c2ccc(C#N)c(Cl)c2)C3)cc1.
What is the InChIKey of 4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile?
The InChIKey is IEJAJEPLZTVIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-16(27)17-3-6-20(7-4-17)28-21-8-10-23(11-9-21)14-26(15-23)19-5-2-18(13-25)22(24)12-19/h2-7,12,21H,8-11,14-15H2,1H3.
What are the key properties of 4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile?
4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile has a molecular weight of 394.90 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-acetylphenoxy)-2-azaspiro[3.5]nonan-2-yl]-2-chlorobenzonitrile is sourced from PubChem (CID 170398588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).