4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride

C21H25Cl2N3O — CID 120907861

IUPAC4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride
SMILESCl.O=C(Nc1cccc(CN2CCC3(CCNC3)C2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O.ClH/c22-18-6-4-17(5-7-18)20(26)24-19-3-1-2-16(12-19)13-25-11-9-21(15-25)8-10-23-14-21;/h1-7,12,23H,8-11,13-15H2,(H,24,26);1H
InChIKeyZIULRTSGONOGEG-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.20
Rot. Bonds4

About 4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride

4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride (PubChem CID 120907861) has the molecular formula C21H25Cl2N3O and a molecular weight of 406.36 g/mol. Its IUPAC name is 4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride
PubChem CID120907861
Molecular FormulaC21H25Cl2N3O
Molecular Weight406.36 g/mol
Exact Mass405.14
IUPAC Name4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride
SMILESCl.O=C(Nc1cccc(CN2CCC3(CCNC3)C2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H24ClN3O.ClH/c22-18-6-4-17(5-7-18)20(26)24-19-3-1-2-16(12-19)13-25-11-9-21(15-25)8-10-23-14-21;/h1-7,12,23H,8-11,13-15H2,(H,24,26);1H
InChIKeyZIULRTSGONOGEG-UHFFFAOYSA-N
XLogP4.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.20
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
2-chloro-N-[3-(2,8-diazaspiro[4.5]decan-2-ylmethyl)phenyl]benzamide
CID 120906565
N-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide
CID 120780523
methyl 3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)benzoate;hydrochloride
CID 120907762
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038699
2-[(3-chloro-4-nitrophenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908226
2-[(3-fluoro-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908775
2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725
2-[(3-pyridin-2-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908518

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride (CID 120907861) is 4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride is Cl.O=C(Nc1cccc(CN2CCC3(CCNC3)C2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride?
The InChIKey is ZIULRTSGONOGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O.ClH/c22-18-6-4-17(5-7-18)20(26)24-19-3-1-2-16(12-19)13-25-11-9-21(15-25)8-10-23-14-21;/h1-7,12,23H,8-11,13-15H2,(H,24,26);1H.
What are the key properties of 4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride?
4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride has a molecular weight of 406.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 120907861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).