N-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C20H20F2N4O2 — CID 23605636

IUPACN-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C20H20F2N4O2/c21-14-6-7-17(16(22)12-14)24-19(28)25-10-8-20(9-11-25)18(27)23-13-26(20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,23,27)(H,24,28)
InChIKeyOVPVGNIAGLFTBN-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.93
Rot. Bonds2

About N-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

N-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 23605636) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID23605636
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC NameN-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C20H20F2N4O2/c21-14-6-7-17(16(22)12-14)24-19(28)25-10-8-20(9-11-25)18(27)23-13-26(20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,23,27)(H,24,28)
InChIKeyOVPVGNIAGLFTBN-UHFFFAOYSA-N
XLogP2.93
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 23605636) is N-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is OVPVGNIAGLFTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c21-14-6-7-17(16(22)12-14)24-19(28)25-10-8-20(9-11-25)18(27)23-13-26(20)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,23,27)(H,24,28).
What are the key properties of N-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
N-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 23605636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).