1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide

C26H21ClF3N3O2 — CID 24955598

IUPAC1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)C2c1ccc(Cl)cc1
InChIInChI=1S/C26H21ClF3N3O2/c27-17-6-4-16(5-7-17)23-26(24(34)33(23)22-3-1-2-18(28)15-22)8-10-32(11-9-26)25(35)31-21-13-19(29)12-20(30)14-21/h1-7,12-15,23H,8-11H2,(H,31,35)
InChIKeyZYQXFUZTMAQNNJ-UHFFFAOYSA-N
MW499.92 g/mol
LogP6.16
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide

1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 24955598) has the molecular formula C26H21ClF3N3O2 and a molecular weight of 499.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID24955598
Molecular FormulaC26H21ClF3N3O2
Molecular Weight499.92 g/mol
Exact Mass499.13
IUPAC Name1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)C2c1ccc(Cl)cc1
InChIInChI=1S/C26H21ClF3N3O2/c27-17-6-4-16(5-7-17)23-26(24(34)33(23)22-3-1-2-18(28)15-22)8-10-32(11-9-26)25(35)31-21-13-19(29)12-20(30)14-21/h1-7,12-15,23H,8-11H2,(H,31,35)
InChIKeyZYQXFUZTMAQNNJ-UHFFFAOYSA-N
XLogP6.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.92
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 24955598) is 1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide is O=C(Nc1cc(F)cc(F)c1)N1CCC2(CC1)C(=O)N(c1cccc(F)c1)C2c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is ZYQXFUZTMAQNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3N3O2/c27-17-6-4-16(5-7-17)23-26(24(34)33(23)22-3-1-2-18(28)15-22)8-10-32(11-9-26)25(35)31-21-13-19(29)12-20(30)14-21/h1-7,12-15,23H,8-11H2,(H,31,35).
What are the key properties of 1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 499.92 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 24955598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).