N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide

C20H19ClN4O2 — CID 20911561

IUPACN-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESO=C1NC2(CCN(C(=O)Nc3ccccc3Cl)CC2)N=C1c1ccccc1
InChIInChI=1S/C20H19ClN4O2/c21-15-8-4-5-9-16(15)22-19(27)25-12-10-20(11-13-25)23-17(18(26)24-20)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,22,27)(H,24,26)
InChIKeyMCAQFRWQAZTBFO-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.28
Rot. Bonds2

About N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide

N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 20911561) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
PubChem CID20911561
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESO=C1NC2(CCN(C(=O)Nc3ccccc3Cl)CC2)N=C1c1ccccc1
InChIInChI=1S/C20H19ClN4O2/c21-15-8-4-5-9-16(15)22-19(27)25-12-10-20(11-13-25)23-17(18(26)24-20)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,22,27)(H,24,26)
InChIKeyMCAQFRWQAZTBFO-UHFFFAOYSA-N
XLogP3.28
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-bromophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-(2-chlorophenyl)acetamide
CID 53029408
N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
CID 20911603
N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide
CID 97374347
3-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
CID 53029712
8-(4-fluorobenzoyl)-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911460
3-(4-tert-butylphenyl)-8-(2-chlorobenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911476
N-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-dimethylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
CID 20911591
N-(2-methylphenyl)-2-(2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 20962188
N-(2-ethylphenyl)-2-(2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 20962167
8-(4-chlorobenzoyl)-3-(4-chlorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911516
N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
CID 20962287
8-benzoyl-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911554

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide (CID 20911561) is N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide is O=C1NC2(CCN(C(=O)Nc3ccccc3Cl)CC2)N=C1c1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide?
The InChIKey is MCAQFRWQAZTBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-15-8-4-5-9-16(15)22-19(27)25-12-10-20(11-13-25)23-17(18(26)24-20)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,22,27)(H,24,26).
What are the key properties of N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide?
N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 20911561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).