5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide

C14H19BrINO2 — CID 103899328

IUPAC5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide
SMILESCC(C)(CCCO)CNC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C14H19BrINO2/c1-14(2,6-3-7-18)9-17-13(19)11-8-10(15)4-5-12(11)16/h4-5,8,18H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyHXRHOKCDFYCVSI-UHFFFAOYSA-N
MW440.12 g/mol
LogP3.58
Rot. Bonds6

About 5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide

5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide (PubChem CID 103899328) has the molecular formula C14H19BrINO2 and a molecular weight of 440.12 g/mol. Its IUPAC name is 5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide
PubChem CID103899328
Molecular FormulaC14H19BrINO2
Molecular Weight440.12 g/mol
Exact Mass438.96
IUPAC Name5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide
SMILESCC(C)(CCCO)CNC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C14H19BrINO2/c1-14(2,6-3-7-18)9-17-13(19)11-8-10(15)4-5-12(11)16/h4-5,8,18H,3,6-7,9H2,1-2H3,(H,17,19)
InChIKeyHXRHOKCDFYCVSI-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.12
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 104920342
2-bromo-5-chloro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899354
5-bromo-2-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103772446
5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide
CID 114149605
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
4-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-methylbenzamide
CID 106144494
5-bromo-2-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364457
2-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 113348236
2-chloro-5-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 106141392
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364480
4-chloro-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 103899859
5-bromo-N-[(2S)-2-hydroxypropyl]-2-iodobenzamide
CID 83058588

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide?
The IUPAC name of 5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide (CID 103899328) is 5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide is CC(C)(CCCO)CNC(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide?
The InChIKey is HXRHOKCDFYCVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrINO2/c1-14(2,6-3-7-18)9-17-13(19)11-8-10(15)4-5-12(11)16/h4-5,8,18H,3,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of 5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide?
5-bromo-N-(5-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide has a molecular weight of 440.12 g/mol, XLogP of 3.58, 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-hydroxy-2,2-dimethylpentyl)-2-iodobenzamide is sourced from PubChem (CID 103899328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).