3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide

C16H15Cl2NO2 — CID 121111944

IUPAC3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
SMILESCC(O)(CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H15Cl2NO2/c1-16(21,12-5-3-2-4-6-12)10-19-15(20)11-7-8-13(17)14(18)9-11/h2-9,21H,10H2,1H3,(H,19,20)
InChIKeyKUZVPSAKRCUCBB-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.63
Rot. Bonds4

About 3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide

3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide (PubChem CID 121111944) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
PubChem CID121111944
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
SMILESCC(O)(CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H15Cl2NO2/c1-16(21,12-5-3-2-4-6-12)10-19-15(20)11-7-8-13(17)14(18)9-11/h2-9,21H,10H2,1H3,(H,19,20)
InChIKeyKUZVPSAKRCUCBB-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

3,4-dichloro-N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111452323
3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458799
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95367981
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
CID 110663962
3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 110663941
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243
3,4-dichloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500989
2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide
CID 111335170

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide (CID 121111944) is 3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide is CC(O)(CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide?
The InChIKey is KUZVPSAKRCUCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-16(21,12-5-3-2-4-6-12)10-19-15(20)11-7-8-13(17)14(18)9-11/h2-9,21H,10H2,1H3,(H,19,20).
What are the key properties of 3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide?
3,4-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 3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide is sourced from PubChem (CID 121111944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).