N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide

C16H15Cl2NO2 — CID 107675571

IUPACN-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc(Cl)cc(Cl)c1O)c1ccccc1
InChIInChI=1S/C16H15Cl2NO2/c1-2-12(10-6-4-3-5-7-10)16(21)19-14-9-11(17)8-13(18)15(14)20/h3-9,12,20H,2H2,1H3,(H,19,21)
InChIKeyQPPCNUVTWLFHDS-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.83
Rot. Bonds4

About N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide

N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide (PubChem CID 107675571) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide
PubChem CID107675571
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC NameN-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc(Cl)cc(Cl)c1O)c1ccccc1
InChIInChI=1S/C16H15Cl2NO2/c1-2-12(10-6-4-3-5-7-10)16(21)19-14-9-11(17)8-13(18)15(14)20/h3-9,12,20H,2H2,1H3,(H,19,21)
InChIKeyQPPCNUVTWLFHDS-UHFFFAOYSA-N
XLogP4.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[[(2S)-2-phenylbutanoyl]amino]benzoic acid
CID 2204406
N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide
CID 22082160
N-(2-bromo-4-chlorophenyl)-2-phenylbutanamide
CID 81272164
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide
CID 106834917
2-[[(2R)-2-phenylbutanoyl]amino]benzoate
CID 6957947
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
(2R)-2-phenyl-N-(2-phenylphenyl)butanamide
CID 1328236
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
2-chloro-5-(2-phenylbutanoylamino)benzamide
CID 42949295
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide (CID 107675571) is N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide is CCC(C(=O)Nc1cc(Cl)cc(Cl)c1O)c1ccccc1.
What is the InChIKey of N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide?
The InChIKey is QPPCNUVTWLFHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-2-12(10-6-4-3-5-7-10)16(21)19-14-9-11(17)8-13(18)15(14)20/h3-9,12,20H,2H2,1H3,(H,19,21).
What are the key properties of N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide?
N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide has a molecular weight of 324.21 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide is sourced from PubChem (CID 107675571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).