4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide

C12H16ClNO2 — CID 66106185

IUPAC4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-9(6-7-15)8-14-12(16)10-2-4-11(13)5-3-10/h2-5,9,15H,6-8H2,1H3,(H,14,16)
InChIKeyHJMYNZRPDBQVGX-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.09
Rot. Bonds5

About 4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide

4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide (PubChem CID 66106185) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
PubChem CID66106185
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
SMILESCC(CCO)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2/c1-9(6-7-15)8-14-12(16)10-2-4-11(13)5-3-10/h2-5,9,15H,6-8H2,1H3,(H,14,16)
InChIKeyHJMYNZRPDBQVGX-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106434
4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103876642
2-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108567
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111487017
2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66091263
N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
CID 66090894
4-chloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 114306518
5-chloro-N-(4-hydroxy-2-methylbutyl)-2-methoxybenzamide
CID 66109284
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
N-(4-amino-2-methylbutyl)-4-hydroxybenzamide
CID 66089978
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide?
The IUPAC name of 4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide (CID 66106185) is 4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide?
The canonical SMILES for 4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide is CC(CCO)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide?
The InChIKey is HJMYNZRPDBQVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9(6-7-15)8-14-12(16)10-2-4-11(13)5-3-10/h2-5,9,15H,6-8H2,1H3,(H,14,16).
What are the key properties of 4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide?
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide has a molecular weight of 241.72 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide is sourced from PubChem (CID 66106185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).