6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide

C24H22ClNO4 — CID 10455003

IUPAC6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide
SMILESCC1(O)OOC(c2ccccc2)(c2ccc(Cl)cc2)CC1C(=O)Nc1ccccc1
InChIInChI=1S/C24H22ClNO4/c1-23(28)21(22(27)26-20-10-6-3-7-11-20)16-24(30-29-23,17-8-4-2-5-9-17)18-12-14-19(25)15-13-18/h2-15,21,28H,16H2,1H3,(H,26,27)
InChIKeyHFLFJVUEKBYXGK-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.90
Rot. Bonds4

About 6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide

6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide (PubChem CID 10455003) has the molecular formula C24H22ClNO4 and a molecular weight of 423.90 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide
PubChem CID10455003
Molecular FormulaC24H22ClNO4
Molecular Weight423.90 g/mol
Exact Mass423.12
IUPAC Name6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide
SMILESCC1(O)OOC(c2ccccc2)(c2ccc(Cl)cc2)CC1C(=O)Nc1ccccc1
InChIInChI=1S/C24H22ClNO4/c1-23(28)21(22(27)26-20-10-6-3-7-11-20)16-24(30-29-23,17-8-4-2-5-9-17)18-12-14-19(25)15-13-18/h2-15,21,28H,16H2,1H3,(H,26,27)
InChIKeyHFLFJVUEKBYXGK-UHFFFAOYSA-N
XLogP4.90
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl 6,6-bis(4-chlorophenyl)-3-hydroxy-3-methyldioxane-4-carboxylate
CID 10646125
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169
3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide
CID 178058411
2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
CID 6611307
(3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide
CID 929902
(1R)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432800
(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432802
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
5,5-dimethyl-2-oxo-N-phenyloxolane-3-carboxamide
CID 3473493
1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid
CID 67468915
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide
CID 142648962

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide (CID 10455003) is 6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide is CC1(O)OOC(c2ccccc2)(c2ccc(Cl)cc2)CC1C(=O)Nc1ccccc1.
What is the InChIKey of 6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide?
The InChIKey is HFLFJVUEKBYXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO4/c1-23(28)21(22(27)26-20-10-6-3-7-11-20)16-24(30-29-23,17-8-4-2-5-9-17)18-12-14-19(25)15-13-18/h2-15,21,28H,16H2,1H3,(H,26,27).
What are the key properties of 6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide?
6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-hydroxy-3-methyl-N,6-diphenyldioxane-4-carboxamide is sourced from PubChem (CID 10455003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).