N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride

C20H24Cl2N2O2 — CID 154921424

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
SMILESCC1(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC12CCNCC2.Cl
InChIInChI=1S/C20H23ClN2O2.ClH/c1-19(13-20(19)8-10-22-11-9-20)18(24)23-12-16-6-7-17(25-16)14-2-4-15(21)5-3-14;/h2-7,22H,8-13H2,1H3,(H,23,24);1H
InChIKeyAUUQTDLZFBVAIL-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.42
Rot. Bonds4

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride (PubChem CID 154921424) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
PubChem CID154921424
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
SMILESCC1(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC12CCNCC2.Cl
InChIInChI=1S/C20H23ClN2O2.ClH/c1-19(13-20(19)8-10-22-11-9-20)18(24)23-12-16-6-7-17(25-16)14-2-4-15(21)5-3-14;/h2-7,22H,8-13H2,1H3,(H,23,24);1H
InChIKeyAUUQTDLZFBVAIL-UHFFFAOYSA-N
XLogP4.42
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

1-[5-(4-Chlorophenyl)-2-furoyl]piperazine
CID 24857857
5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 44182306
1-{[5-(4-Chlorophenyl)-2-furyl]methyl}piperidine
CID 782099
[5-(2-Chlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 4494608
N-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6463437
[5-(2-Chlorophenyl)-2-furyl]-(3-methylpiperidino)methanone
CID 18105311
5-(4-chlorophenyl)-N-cyclohexyl-2-furamide
CID 18230215
1-{[5-(4-Chlorophenyl)-2-furyl]carbonothioyl}piperidine
CID 796821
4-chloro-N-(furan-2-ylmethyl)benzamide
CID 720138
[5-(3,5-Dichlorophenyl)furan-2-yl]methyl-(2-methoxyethyl)azanium
CID 7379361
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
CID 7380204
[5-(2,5-Dichlorophenyl)furan-2-yl]methyl-ethylazanium
CID 7425155

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride (CID 154921424) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride is CC1(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)CC12CCNCC2.Cl.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride?
The InChIKey is AUUQTDLZFBVAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2.ClH/c1-19(13-20(19)8-10-22-11-9-20)18(24)23-12-16-6-7-17(25-16)14-2-4-15(21)5-3-14;/h2-7,22H,8-13H2,1H3,(H,23,24);1H.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride has a molecular weight of 395.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride is sourced from PubChem (CID 154921424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).