2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide

C13H18ClNO3 — CID 106139698

IUPAC2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
SMILESCC(C)(CCO)CNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C13H18ClNO3/c1-13(2,5-6-16)8-15-12(18)10-7-9(17)3-4-11(10)14/h3-4,7,16-17H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyVFVMFURUXWTOBH-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.18
Rot. Bonds5

About 2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide

2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide (PubChem CID 106139698) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
PubChem CID106139698
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
SMILESCC(C)(CCO)CNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C13H18ClNO3/c1-13(2,5-6-16)8-15-12(18)10-7-9(17)3-4-11(10)14/h3-4,7,16-17H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyVFVMFURUXWTOBH-UHFFFAOYSA-N
XLogP2.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 106141392
N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide
CID 106143650
2-bromo-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825239
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748
2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 104920342
N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide
CID 103772268
2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)quinoline-4-carboxamide
CID 103825258
2-chloro-N-(4-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
CID 106503218
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-5-methoxybenzamide
CID 106139273
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide (CID 106139698) is 2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide is CC(C)(CCO)CNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
The InChIKey is VFVMFURUXWTOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-13(2,5-6-16)8-15-12(18)10-7-9(17)3-4-11(10)14/h3-4,7,16-17H,5-6,8H2,1-2H3,(H,15,18).
What are the key properties of 2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide?
2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide has a molecular weight of 271.74 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide is sourced from PubChem (CID 106139698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).