N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide

C16H15Cl2NO3 — CID 110026377

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H15Cl2NO3/c1-16(22,10-5-3-2-4-6-10)9-14(20)19-11-7-12(17)15(21)13(18)8-11/h2-8,21-22H,9H2,1H3,(H,19,20)
InChIKeyBVUXVZVONRODLW-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.94
Rot. Bonds4

About N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide

N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide (PubChem CID 110026377) has the molecular formula C16H15Cl2NO3 and a molecular weight of 340.21 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide
PubChem CID110026377
Molecular FormulaC16H15Cl2NO3
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide
SMILESCC(O)(CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H15Cl2NO3/c1-16(22,10-5-3-2-4-6-10)9-14(20)19-11-7-12(17)15(21)13(18)8-11/h2-8,21-22H,9H2,1H3,(H,19,20)
InChIKeyBVUXVZVONRODLW-UHFFFAOYSA-N
XLogP3.94
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024296
N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide
CID 110025284
N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide
CID 110025035
3-hydroxy-N-(1H-indol-5-yl)-3-phenylbutanamide
CID 110024564
5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide
CID 110024808
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide
CID 110024262
N-(3,5-dichloro-4-hydroxyphenyl)-4-hydroxybutanamide
CID 107681679
3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide
CID 110025383
3-hydroxy-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-3-phenylbutanamide
CID 110024527
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024305
N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
CID 3875315

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide (CID 110026377) is N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide is CC(O)(CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide?
The InChIKey is BVUXVZVONRODLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3/c1-16(22,10-5-3-2-4-6-10)9-14(20)19-11-7-12(17)15(21)13(18)8-11/h2-8,21-22H,9H2,1H3,(H,19,20).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide?
N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide has a molecular weight of 340.21 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110026377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).