3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide

C16H15Cl2NO2 — CID 110291527

IUPAC3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
SMILESCC(O)(CNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO2/c1-16(21,12-5-7-13(17)8-6-12)10-19-15(20)11-3-2-4-14(18)9-11/h2-9,21H,10H2,1H3,(H,19,20)
InChIKeyYEKZUGQVHUSLJR-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.63
Rot. Bonds4

About 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide

3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide (PubChem CID 110291527) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
PubChem CID110291527
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
SMILESCC(O)(CNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO2/c1-16(21,12-5-7-13(17)8-6-12)10-19-15(20)11-3-2-4-14(18)9-11/h2-9,21H,10H2,1H3,(H,19,20)
InChIKeyYEKZUGQVHUSLJR-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

N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291494
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide
CID 110291508
2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291543
N-(4-bromo-2,2-dimethylbutyl)-3-chlorobenzamide
CID 106143855
3-chloro-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)benzamide
CID 71787281
N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291619
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95367981
3-(3-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 173147350
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide (CID 110291527) is 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide is CC(O)(CNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide?
The InChIKey is YEKZUGQVHUSLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-16(21,12-5-7-13(17)8-6-12)10-19-15(20)11-3-2-4-14(18)9-11/h2-9,21H,10H2,1H3,(H,19,20).
What are the key properties of 3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide?
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]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-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 110291527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).