3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide

C14H15Br2NO2 — CID 103908532

IUPAC3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1C1CC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H15Br2NO2/c15-10-5-9(6-11(16)7-10)14(18)17-12-3-4-19-13(12)8-1-2-8/h5-8,12-13H,1-4H2,(H,17,18)
InChIKeyLFGXSQOCJUUVNE-UHFFFAOYSA-N
MW389.09 g/mol
LogP3.51
Rot. Bonds3

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

3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide (PubChem CID 103908532) has the molecular formula C14H15Br2NO2 and a molecular weight of 389.09 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide
PubChem CID103908532
Molecular FormulaC14H15Br2NO2
Molecular Weight389.09 g/mol
Exact Mass386.95
IUPAC Name3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide
SMILESO=C(NC1CCOC1C1CC1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H15Br2NO2/c15-10-5-9(6-11(16)7-10)14(18)17-12-3-4-19-13(12)8-1-2-8/h5-8,12-13H,1-4H2,(H,17,18)
InChIKeyLFGXSQOCJUUVNE-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.09
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropyloxolan-3-yl)-3-iodobenzamide
CID 103864238
N-(2-cyclopropyloxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 103865039
3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide
CID 99606496
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide
CID 103864687
N-(2-cyclopropyloxolan-3-yl)-3-fluoro-4-nitrobenzamide
CID 103864653
N-(2-cyclopropyloxolan-3-yl)-1H-indole-6-carboxamide
CID 103864226
3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
CID 103908540
3,5-dibromo-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103909256
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-3-bromo-5-fluorobenzamide
CID 66195745
N-(2-cyclopropyloxolan-3-yl)-2H-triazole-4-carboxamide
CID 103865049
N-(2-cyclopropyloxolan-3-yl)-2-hydrazinylbenzamide
CID 114120833
N-(2-cyclopropyloxolan-3-yl)-2-hydrazinyl-5-methylbenzamide
CID 114120831

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide (CID 103908532) is 3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide is O=C(NC1CCOC1C1CC1)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide?
The InChIKey is LFGXSQOCJUUVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NO2/c15-10-5-9(6-11(16)7-10)14(18)17-12-3-4-19-13(12)8-1-2-8/h5-8,12-13H,1-4H2,(H,17,18).
What are the key properties of 3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide?
3,5-dibromo-N-(2-cyclopropyloxolan-3-yl)benzamide has a molecular weight of 389.09 g/mol, XLogP of 3.51, 3 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-cyclopropyloxolan-3-yl)benzamide is sourced from PubChem (CID 103908532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).