5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide

C13H17BrINO2 — CID 62522095

IUPAC5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide
SMILESCCC(CC)(CO)NC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C13H17BrINO2/c1-3-13(4-2,8-17)16-12(18)10-7-9(14)5-6-11(10)15/h5-7,17H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyMHMUFTNGINUFNY-UHFFFAOYSA-N
MW426.09 g/mol
LogP3.33
Rot. Bonds5

About 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide

5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide (PubChem CID 62522095) has the molecular formula C13H17BrINO2 and a molecular weight of 426.09 g/mol. Its IUPAC name is 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide
PubChem CID62522095
Molecular FormulaC13H17BrINO2
Molecular Weight426.09 g/mol
Exact Mass424.95
IUPAC Name5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide
SMILESCCC(CC)(CO)NC(=O)c1cc(Br)ccc1I
InChIInChI=1S/C13H17BrINO2/c1-3-13(4-2,8-17)16-12(18)10-7-9(14)5-6-11(10)15/h5-7,17H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyMHMUFTNGINUFNY-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.09
LogP ≤ 53.33
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

4-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxybenzamide
CID 107865880
5-bromo-N-ethyl-2-iodobenzamide
CID 47100033
5-bromo-N-(3-ethylpentan-3-yl)-2-fluorobenzamide
CID 65041076
5-bromo-2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107846792
5-bromo-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzamide
CID 107844804
5-chloro-N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-iodobenzamide
CID 114029764
4-bromo-N-(1-hydroxy-2-methylpropan-2-yl)-2-iodobenzamide
CID 166624926
5-bromo-N-[3-(chloromethyl)pentan-3-yl]-2-fluorobenzamide
CID 113273352
N-(3-ethylpentan-3-yl)-2-iodo-5-nitrobenzamide
CID 65039144
5-chloro-N-[3-(hydroxymethyl)pentan-3-yl]-4-iodo-2-methoxybenzamide
CID 62522447
4-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-hydroxybenzamide
CID 114010991
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]pyridine-2-carboxamide
CID 55153816

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide?
The IUPAC name of 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide (CID 62522095) is 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide.
What is the SMILES notation for 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide?
The canonical SMILES for 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide is CCC(CC)(CO)NC(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide?
The InChIKey is MHMUFTNGINUFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrINO2/c1-3-13(4-2,8-17)16-12(18)10-7-9(14)5-6-11(10)15/h5-7,17H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide?
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide has a molecular weight of 426.09 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-2-iodobenzamide is sourced from PubChem (CID 62522095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).