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

C20H17Cl2FN4O2 — CID 20911603

IUPACN-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESO=C1NC2(CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C20H17Cl2FN4O2/c21-13-3-1-12(2-4-13)17-18(28)26-20(25-17)7-9-27(10-8-20)19(29)24-14-5-6-16(23)15(22)11-14/h1-6,11H,7-10H2,(H,24,29)(H,26,28)
InChIKeyORLVAUFYGUJFMG-UHFFFAOYSA-N
MW435.29 g/mol
LogP4.08
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 20911603) has the molecular formula C20H17Cl2FN4O2 and a molecular weight of 435.29 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
PubChem CID20911603
Molecular FormulaC20H17Cl2FN4O2
Molecular Weight435.29 g/mol
Exact Mass434.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESO=C1NC2(CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C20H17Cl2FN4O2/c21-13-3-1-12(2-4-13)17-18(28)26-20(25-17)7-9-27(10-8-20)19(29)24-14-5-6-16(23)15(22)11-14/h1-6,11H,7-10H2,(H,24,29)(H,26,28)
InChIKeyORLVAUFYGUJFMG-UHFFFAOYSA-N
XLogP4.08
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-(4-chlorobenzoyl)-3-(4-chlorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911516
N-(2-chlorophenyl)-2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
CID 20911561
8-(3-chlorobenzoyl)-3-(4-chlorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911512
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-(3-chloro-4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 42109537
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-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
CID 20962269
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
N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
CID 20962255
2-[(1S,5R)-4'-(4-chlorophenyl)-5'-oxospiro[bicyclo[3.1.0]hexane-3,2'-imidazole]-1'-yl]-N-(3,4-difluorophenyl)acetamide;4-(4-chlorophenyl)spiro[1H-imidazole-2,3'-bicyclo[3.1.0]hexane]-5-one
CID 159201852
N-(3-chloro-4-fluorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108990187

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide (CID 20911603) is N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide is O=C1NC2(CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide?
The InChIKey is ORLVAUFYGUJFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2FN4O2/c21-13-3-1-12(2-4-13)17-18(28)26-20(25-17)7-9-27(10-8-20)19(29)24-14-5-6-16(23)15(22)11-14/h1-6,11H,7-10H2,(H,24,29)(H,26,28).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 435.29 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 20911603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).