4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide

C13H18ClNO2 — CID 113347731

IUPAC4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-12(2,13(3,4)17)15-11(16)9-5-7-10(14)8-6-9/h5-8,17H,1-4H3,(H,15,16)
InChIKeyXHNLDKVLFJVFCU-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.62
Rot. Bonds3

About 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide

4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide (PubChem CID 113347731) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
PubChem CID113347731
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
SMILESCC(C)(O)C(C)(C)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-12(2,13(3,4)17)15-11(16)9-5-7-10(14)8-6-9/h5-8,17H,1-4H3,(H,15,16)
InChIKeyXHNLDKVLFJVFCU-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide
CID 103895299
4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 103895529
4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzamide
CID 106180498
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide
CID 103933503
4-chloro-N-(5-hydroxy-2-methylpentan-2-yl)benzamide
CID 136573165
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide
CID 103933543
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide
CID 103895621
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347743
4-chloro-N-hydroxybenzamide
CID 587178
3-(4-chlorophenyl)-N-(3,3-difluoro-2-methylbutan-2-yl)-5-methylbenzamide
CID 145257658
3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide
CID 103933438

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide (CID 113347731) is 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide is CC(C)(O)C(C)(C)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide?
The InChIKey is XHNLDKVLFJVFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-12(2,13(3,4)17)15-11(16)9-5-7-10(14)8-6-9/h5-8,17H,1-4H3,(H,15,16).
What are the key properties of 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide?
4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide has a molecular weight of 255.75 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide is sourced from PubChem (CID 113347731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).