3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide

C16H24ClNO2 — CID 134094274

IUPAC3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide
SMILESCC(C)(C)CNC(=O)c1cc(Cl)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H24ClNO2/c1-15(2,3)9-18-14(20)10-7-11(16(4,5)6)13(19)12(17)8-10/h7-8,19H,9H2,1-6H3,(H,18,20)
InChIKeyUZSZAPYZGKCXJF-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.12
Rot. Bonds2

About 3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide

3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide (PubChem CID 134094274) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide
PubChem CID134094274
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide
SMILESCC(C)(C)CNC(=O)c1cc(Cl)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C16H24ClNO2/c1-15(2,3)9-18-14(20)10-7-11(16(4,5)6)13(19)12(17)8-10/h7-8,19H,9H2,1-6H3,(H,18,20)
InChIKeyUZSZAPYZGKCXJF-UHFFFAOYSA-N
XLogP4.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-5-chloro-4-hydroxy-N-(2-methylpropyl)benzamide
CID 134123782
3,5-ditert-butyl-4-hydroxy-N-(2,4,5-trichlorophenyl)benzamide
CID 134094104
N-(2,2-dimethylpropyl)-5-hydroxypyridine-3-carboxamide
CID 63866542
3-chloro-N-ethyl-4,5-dihydroxybenzamide
CID 144617791
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
2-chloro-1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 14210977
5-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide
CID 61166278
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3,5-dihydroxybenzamide
CID 103893143
3,5-dichloro-4-(2,2-dimethylpropylcarbamoylamino)benzoic acid
CID 82832906
3-bromo-5-(2,2-dimethylpropylcarbamoyl)benzenesulfonyl chloride
CID 65371168
3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115665361
3,5-ditert-butyl-N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 135437571

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide?
The IUPAC name of 3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide (CID 134094274) is 3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide.
What is the SMILES notation for 3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide?
The canonical SMILES for 3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide is CC(C)(C)CNC(=O)c1cc(Cl)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide?
The InChIKey is UZSZAPYZGKCXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-15(2,3)9-18-14(20)10-7-11(16(4,5)6)13(19)12(17)8-10/h7-8,19H,9H2,1-6H3,(H,18,20).
What are the key properties of 3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide?
3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide has a molecular weight of 297.83 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-chloro-N-(2,2-dimethylpropyl)-4-hydroxybenzamide is sourced from PubChem (CID 134094274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).