3,5-dibromo-N-(2-methyloxan-4-yl)benzamide

C13H15Br2NO2 — CID 103908540

IUPAC3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
SMILESCC1CC(NC(=O)c2cc(Br)cc(Br)c2)CCO1
InChIInChI=1S/C13H15Br2NO2/c1-8-4-12(2-3-18-8)16-13(17)9-5-10(14)7-11(15)6-9/h5-8,12H,2-4H2,1H3,(H,16,17)
InChIKeyWPWKEACVPSNOLF-UHFFFAOYSA-N
MW377.08 g/mol
LogP3.51
Rot. Bonds2

About 3,5-dibromo-N-(2-methyloxan-4-yl)benzamide

3,5-dibromo-N-(2-methyloxan-4-yl)benzamide (PubChem CID 103908540) has the molecular formula C13H15Br2NO2 and a molecular weight of 377.08 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-methyloxan-4-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
PubChem CID103908540
Molecular FormulaC13H15Br2NO2
Molecular Weight377.08 g/mol
Exact Mass374.95
IUPAC Name3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
SMILESCC1CC(NC(=O)c2cc(Br)cc(Br)c2)CCO1
InChIInChI=1S/C13H15Br2NO2/c1-8-4-12(2-3-18-8)16-13(17)9-5-10(14)7-11(15)6-9/h5-8,12H,2-4H2,1H3,(H,16,17)
InChIKeyWPWKEACVPSNOLF-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.08
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-methyloxan-4-yl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-methyloxan-4-yl)benzamide (CID 103908540) is 3,5-dibromo-N-(2-methyloxan-4-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-methyloxan-4-yl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-methyloxan-4-yl)benzamide is CC1CC(NC(=O)c2cc(Br)cc(Br)c2)CCO1.
What is the InChIKey of 3,5-dibromo-N-(2-methyloxan-4-yl)benzamide?
The InChIKey is WPWKEACVPSNOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2NO2/c1-8-4-12(2-3-18-8)16-13(17)9-5-10(14)7-11(15)6-9/h5-8,12H,2-4H2,1H3,(H,16,17).
What are the key properties of 3,5-dibromo-N-(2-methyloxan-4-yl)benzamide?
3,5-dibromo-N-(2-methyloxan-4-yl)benzamide has a molecular weight of 377.08 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(2-methyloxan-4-yl)benzamide is sourced from PubChem (CID 103908540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).