2-benzyl-N-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide

C22H24Cl2N4O2 — CID 173180248

IUPAC2-benzyl-N-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C1NC2(CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)NC1Cc1ccccc1
InChIInChI=1S/C22H24Cl2N4O2/c23-17-7-6-16(12-18(17)24)14-25-21(30)28-10-8-22(9-11-28)26-19(20(29)27-22)13-15-4-2-1-3-5-15/h1-7,12,19,26H,8-11,13-14H2,(H,25,30)(H,27,29)
InChIKeyIRFJKGSTFLDFAI-UHFFFAOYSA-N
MW447.37 g/mol
LogP3.33
Rot. Bonds4

About 2-benzyl-N-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide

2-benzyl-N-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 173180248) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is 2-benzyl-N-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID173180248
Molecular FormulaC22H24Cl2N4O2
Molecular Weight447.37 g/mol
Exact Mass446.13
IUPAC Name2-benzyl-N-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C1NC2(CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)NC1Cc1ccccc1
InChIInChI=1S/C22H24Cl2N4O2/c23-17-7-6-16(12-18(17)24)14-25-21(30)28-10-8-22(9-11-28)26-19(20(29)27-22)13-15-4-2-1-3-5-15/h1-7,12,19,26H,8-11,13-14H2,(H,25,30)(H,27,29)
InChIKeyIRFJKGSTFLDFAI-UHFFFAOYSA-N
XLogP3.33
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2-benzyl-N-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide (CID 173180248) is 2-benzyl-N-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2-benzyl-N-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide is O=C1NC2(CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)CC2)NC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is IRFJKGSTFLDFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O2/c23-17-7-6-16(12-18(17)24)14-25-21(30)28-10-8-22(9-11-28)26-19(20(29)27-22)13-15-4-2-1-3-5-15/h1-7,12,19,26H,8-11,13-14H2,(H,25,30)(H,27,29).
What are the key properties of 2-benzyl-N-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide?
2-benzyl-N-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 447.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(3,4-dichlorophenyl)methyl]-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 173180248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).