2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide

C16H15Cl2NO2 — CID 111335243

IUPAC2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
SMILESCC(O)(CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H15Cl2NO2/c1-16(21,11-5-3-2-4-6-11)10-19-15(20)13-8-7-12(17)9-14(13)18/h2-9,21H,10H2,1H3,(H,19,20)
InChIKeyYHXNYJJQFOADTC-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.63
Rot. Bonds4

About 2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide

2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide (PubChem CID 111335243) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
PubChem CID111335243
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
SMILESCC(O)(CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H15Cl2NO2/c1-16(21,11-5-3-2-4-6-11)10-19-15(20)13-8-7-12(17)9-14(13)18/h2-9,21H,10H2,1H3,(H,19,20)
InChIKeyYHXNYJJQFOADTC-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291543
4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide
CID 111335197
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-nitrobenzamide
CID 111334974
2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599532
2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide
CID 111335170
2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115429513
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 110663977
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95368019

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide (CID 111335243) is 2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide is CC(O)(CNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide?
The InChIKey is YHXNYJJQFOADTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-16(21,11-5-3-2-4-6-11)10-19-15(20)13-8-7-12(17)9-14(13)18/h2-9,21H,10H2,1H3,(H,19,20).
What are the key properties of 2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide?
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide has a molecular weight of 324.21 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide is sourced from PubChem (CID 111335243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).