N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide

C13H17BrClNO2 — CID 106143650

IUPACN-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide
SMILESCC(C)(CCBr)CNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C13H17BrClNO2/c1-13(2,5-6-14)8-16-12(18)10-7-9(17)3-4-11(10)15/h3-4,7,17H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyATIVAQGRASXGDU-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.59
Rot. Bonds5

About N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide

N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide (PubChem CID 106143650) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide
PubChem CID106143650
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC NameN-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide
SMILESCC(C)(CCBr)CNC(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C13H17BrClNO2/c1-13(2,5-6-14)8-16-12(18)10-7-9(17)3-4-11(10)15/h3-4,7,17H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyATIVAQGRASXGDU-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-hydroxy-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106139698
2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 106141392
N-(4-bromo-2,2-dimethylbutyl)-4-chloro-3-methylbenzamide
CID 114149501
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763
N-(3-bromo-2,2-dimethylpropyl)-2,4-dihydroxybenzamide
CID 107726081
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908
N-(4-bromo-2,2-dimethylbutyl)-3-chloro-4-methylbenzamide
CID 114149388
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748
N-(4-bromo-2,2-dimethylbutyl)-3-chlorobenzamide
CID 106143855
N-(4-bromo-2,2-dimethylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 106143435
N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide
CID 106145403
2-chloro-N-(4-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
CID 106503218

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide?
The IUPAC name of N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide (CID 106143650) is N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide.
What is the SMILES notation for N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide?
The canonical SMILES for N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide is CC(C)(CCBr)CNC(=O)c1cc(O)ccc1Cl.
What is the InChIKey of N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide?
The InChIKey is ATIVAQGRASXGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-13(2,5-6-14)8-16-12(18)10-7-9(17)3-4-11(10)15/h3-4,7,17H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide?
N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide has a molecular weight of 334.64 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,2-dimethylbutyl)-2-chloro-5-hydroxybenzamide is sourced from PubChem (CID 106143650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).