1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C32H28ClN3O3 — CID 24951866

IUPAC1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccc(Cl)cc1
InChIInChI=1S/C32H28ClN3O3/c33-24-13-11-23(12-14-24)29-32(30(37)36(29)26-7-3-1-4-8-26)19-21-35(22-20-32)31(38)34-25-15-17-28(18-16-25)39-27-9-5-2-6-10-27/h1-18,29H,19-22H2,(H,34,38)
InChIKeyOTADGVYPNMNLMO-UHFFFAOYSA-N
MW538.05 g/mol
LogP7.53
Rot. Bonds5

About 1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 24951866) has the molecular formula C32H28ClN3O3 and a molecular weight of 538.05 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID24951866
Molecular FormulaC32H28ClN3O3
Molecular Weight538.05 g/mol
Exact Mass537.18
IUPAC Name1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccc(Cl)cc1
InChIInChI=1S/C32H28ClN3O3/c33-24-13-11-23(12-14-24)29-32(30(37)36(29)26-7-3-1-4-8-26)19-21-35(22-20-32)31(38)34-25-15-17-28(18-16-25)39-27-9-5-2-6-10-27/h1-18,29H,19-22H2,(H,34,38)
InChIKeyOTADGVYPNMNLMO-UHFFFAOYSA-N
XLogP7.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.05
LogP ≤ 57.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide with MolForge

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Related Compounds

(1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 44571023
(1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 44570932
N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24955236
1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 59688484
1-(4-chlorophenyl)-7-(5-chlorothiophene-2-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 24951862
N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24952584
1-(4-chlorophenyl)-7-(2,6-dimethoxypyridine-3-carbonyl)-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 24956134
4-cyclopentyl-4-hydroxy-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 23071843
2-(3-chlorophenyl)-N-(3,5-difluorophenyl)-1-(1-hydroxypyridin-1-ium-2-yl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 59688463
4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 72841938
5-oxo-N-(4-phenoxyphenyl)-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 56753316
3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24953805

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 24951866) is 1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC2(CC1)C(=O)N(c1ccccc1)C2c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is OTADGVYPNMNLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28ClN3O3/c33-24-13-11-23(12-14-24)29-32(30(37)36(29)26-7-3-1-4-8-26)19-21-35(22-20-32)31(38)34-25-15-17-28(18-16-25)39-27-9-5-2-6-10-27/h1-18,29H,19-22H2,(H,34,38).
What are the key properties of 1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 538.05 g/mol, XLogP of 7.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 24951866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).