4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide

C26H27Cl2N7O2 — CID 58353153

IUPAC4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCCC[C@H](c1ccc(C(=O)Nc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCCCC2
InChIInChI=1S/C26H27Cl2N7O2/c1-2-6-21(16-7-9-17(10-8-16)23(36)29-25-31-33-34-32-25)35-24(37)22(18-13-19(27)15-20(28)14-18)30-26(35)11-4-3-5-12-26/h7-10,13-15,21H,2-6,11-12H2,1H3,(H2,29,31,32,33,34,36)/t21-/m1/s1
InChIKeyDECICKVGHWGHIC-OAQYLSRUSA-N
MW540.46 g/mol
LogP5.59
Rot. Bonds7

About 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide

4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 58353153) has the molecular formula C26H27Cl2N7O2 and a molecular weight of 540.46 g/mol. Its IUPAC name is 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID58353153
Molecular FormulaC26H27Cl2N7O2
Molecular Weight540.46 g/mol
Exact Mass539.16
IUPAC Name4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCCC[C@H](c1ccc(C(=O)Nc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCCCC2
InChIInChI=1S/C26H27Cl2N7O2/c1-2-6-21(16-7-9-17(10-8-16)23(36)29-25-31-33-34-32-25)35-24(37)22(18-13-19(27)15-20(28)14-18)30-26(35)11-4-3-5-12-26/h7-10,13-15,21H,2-6,11-12H2,1H3,(H2,29,31,32,33,34,36)/t21-/m1/s1
InChIKeyDECICKVGHWGHIC-OAQYLSRUSA-N
XLogP5.59
TPSA116.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.46
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide (CID 58353153) is 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide is CCC[C@H](c1ccc(C(=O)Nc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCCCC2.
What is the InChIKey of 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is DECICKVGHWGHIC-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H27Cl2N7O2/c1-2-6-21(16-7-9-17(10-8-16)23(36)29-25-31-33-34-32-25)35-24(37)22(18-13-19(27)15-20(28)14-18)30-26(35)11-4-3-5-12-26/h7-10,13-15,21H,2-6,11-12H2,1H3,(H2,29,31,32,33,34,36)/t21-/m1/s1.
What are the key properties of 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 540.46 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 58353153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).