5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide

C14H19BrClNO2 — CID 114149605

IUPAC5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide
SMILESCC(C)(CCCCl)CNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C14H19BrClNO2/c1-14(2,6-3-7-16)9-17-13(19)11-8-10(15)4-5-12(11)18/h4-5,8,18H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyLNSSSOXIQQENCD-UHFFFAOYSA-N
MW348.67 g/mol
LogP3.93
Rot. Bonds6

About 5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide

5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide (PubChem CID 114149605) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is 5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide
PubChem CID114149605
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Name5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide
SMILESCC(C)(CCCCl)CNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C14H19BrClNO2/c1-14(2,6-3-7-16)9-17-13(19)11-8-10(15)4-5-12(11)18/h4-5,8,18H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyLNSSSOXIQQENCD-UHFFFAOYSA-N
XLogP3.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 53.93
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

4-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-methylbenzamide
CID 106144494
5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide
CID 107730547
2-bromo-N-(5-chloro-2,2-dimethylpentyl)-5-methylbenzamide
CID 106144084
2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 104920342
N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide
CID 106142770
N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide
CID 106144803
5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide
CID 103899328
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748
5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-hydroxybenzamide
CID 103841103
5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107729906
5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364457
5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide
CID 106144546

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide (CID 114149605) is 5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide is CC(C)(CCCCl)CNC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide?
The InChIKey is LNSSSOXIQQENCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c1-14(2,6-3-7-16)9-17-13(19)11-8-10(15)4-5-12(11)18/h4-5,8,18H,3,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of 5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide?
5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide has a molecular weight of 348.67 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide is sourced from PubChem (CID 114149605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).