2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide

C22H26ClN3O — CID 120906565

IUPAC2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CN2CCC3(CCNCC3)C2)c1)c1ccccc1Cl
InChIInChI=1S/C22H26ClN3O/c23-20-7-2-1-6-19(20)21(27)25-18-5-3-4-17(14-18)15-26-13-10-22(16-26)8-11-24-12-9-22/h1-7,14,24H,8-13,15-16H2,(H,25,27)
InChIKeyVXIBKJLSSNHEAO-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.17
Rot. Bonds4

About 2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide

2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide (PubChem CID 120906565) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is 2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide
PubChem CID120906565
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(CN2CCC3(CCNCC3)C2)c1)c1ccccc1Cl
InChIInChI=1S/C22H26ClN3O/c23-20-7-2-1-6-19(20)21(27)25-18-5-3-4-17(14-18)15-26-13-10-22(16-26)8-11-24-12-9-22/h1-7,14,24H,8-13,15-16H2,(H,25,27)
InChIKeyVXIBKJLSSNHEAO-UHFFFAOYSA-N
XLogP4.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride
CID 120907723
4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride
CID 120907861
2-chloro-N-[3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenyl]benzamide
CID 120967927
2-chloro-N-[3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenyl]benzamide;hydrochloride
CID 120967926
8-benzyl-3,8-diazaspiro[5.6]dodecane
CID 82665591
4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride
CID 119852975
(2S)-1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038743
1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid
CID 122040449
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 120905897
4-chloro-3-phenylmethoxy-N-[3-(piperazin-1-ylmethyl)phenyl]benzamide
CID 85470727
2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906452

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide (CID 120906565) is 2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide is O=C(Nc1cccc(CN2CCC3(CCNCC3)C2)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide?
The InChIKey is VXIBKJLSSNHEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O/c23-20-7-2-1-6-19(20)21(27)25-18-5-3-4-17(14-18)15-26-13-10-22(16-26)8-11-24-12-9-22/h1-7,14,24H,8-13,15-16H2,(H,25,27).
What are the key properties of 2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide?
2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide has a molecular weight of 383.92 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 120906565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).