1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide

C26H21Cl3FN3O2 — CID 59688484

IUPAC1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)N1CCC2(CC1)C(=O)N(c1ccc(F)cc1)C2c1ccc(Cl)cc1
InChIInChI=1S/C26H21Cl3FN3O2/c27-17-6-4-16(5-7-17)23-26(24(34)33(23)19-10-8-18(30)9-11-19)12-14-32(15-13-26)25(35)31-22-20(28)2-1-3-21(22)29/h1-11,23H,12-15H2,(H,31,35)
InChIKeyYYGPYHOALOMLEJ-UHFFFAOYSA-N
MW532.83 g/mol
LogP7.19
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide

1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 59688484) has the molecular formula C26H21Cl3FN3O2 and a molecular weight of 532.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID59688484
Molecular FormulaC26H21Cl3FN3O2
Molecular Weight532.83 g/mol
Exact Mass531.07
IUPAC Name1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)N1CCC2(CC1)C(=O)N(c1ccc(F)cc1)C2c1ccc(Cl)cc1
InChIInChI=1S/C26H21Cl3FN3O2/c27-17-6-4-16(5-7-17)23-26(24(34)33(23)19-10-8-18(30)9-11-19)12-14-32(15-13-26)25(35)31-22-20(28)2-1-3-21(22)29/h1-11,23H,12-15H2,(H,31,35)
InChIKeyYYGPYHOALOMLEJ-UHFFFAOYSA-N
XLogP7.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.83
LogP ≤ 57.19
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-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 59688484) is 1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide is O=C(Nc1c(Cl)cccc1Cl)N1CCC2(CC1)C(=O)N(c1ccc(F)cc1)C2c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is YYGPYHOALOMLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl3FN3O2/c27-17-6-4-16(5-7-17)23-26(24(34)33(23)19-10-8-18(30)9-11-19)12-14-32(15-13-26)25(35)31-22-20(28)2-1-3-21(22)29/h1-11,23H,12-15H2,(H,31,35).
What are the key properties of 1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 532.83 g/mol, XLogP of 7.19, 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-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 59688484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).