8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide

C22H19F5N4O3 — CID 146465177

IUPAC8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
SMILESCNC(=O)N1CC2(C1)C(=O)N(c1ccc(F)c(F)c1)CC(=O)N2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H19F5N4O3/c1-28-20(34)29-11-21(12-29)19(33)30(15-6-7-16(23)17(24)8-15)10-18(32)31(21)9-13-2-4-14(5-3-13)22(25,26)27/h2-8H,9-12H2,1H3,(H,28,34)
InChIKeyJJAYLJNZBNPSEL-UHFFFAOYSA-N
MW482.41 g/mol
LogP2.75
Rot. Bonds3

About 8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide

8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide (PubChem CID 146465177) has the molecular formula C22H19F5N4O3 and a molecular weight of 482.41 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
PubChem CID146465177
Molecular FormulaC22H19F5N4O3
Molecular Weight482.41 g/mol
Exact Mass482.14
IUPAC Name8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
SMILESCNC(=O)N1CC2(C1)C(=O)N(c1ccc(F)c(F)c1)CC(=O)N2Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H19F5N4O3/c1-28-20(34)29-11-21(12-29)19(33)30(15-6-7-16(23)17(24)8-15)10-18(32)31(21)9-13-2-4-14(5-3-13)22(25,26)27/h2-8H,9-12H2,1H3,(H,28,34)
InChIKeyJJAYLJNZBNPSEL-UHFFFAOYSA-N
XLogP2.75
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide (CID 146465177) is 8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide is CNC(=O)N1CC2(C1)C(=O)N(c1ccc(F)c(F)c1)CC(=O)N2Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is JJAYLJNZBNPSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F5N4O3/c1-28-20(34)29-11-21(12-29)19(33)30(15-6-7-16(23)17(24)8-15)10-18(32)31(21)9-13-2-4-14(5-3-13)22(25,26)27/h2-8H,9-12H2,1H3,(H,28,34).
What are the key properties of 8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?
8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 482.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-difluorophenyl)-N-methyl-6,9-dioxo-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 146465177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).