2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide

C12H13Br2NO2 — CID 103883477

IUPAC2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2NO2/c1-7-11(4-5-17-7)15-12(16)9-3-2-8(13)6-10(9)14/h2-3,6-7,11H,4-5H2,1H3,(H,15,16)
InChIKeyWHIJHOKDVDVLCG-UHFFFAOYSA-N
MW363.05 g/mol
LogP3.12
Rot. Bonds2

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

2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 103883477) has the molecular formula C12H13Br2NO2 and a molecular weight of 363.05 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
PubChem CID103883477
Molecular FormulaC12H13Br2NO2
Molecular Weight363.05 g/mol
Exact Mass360.93
IUPAC Name2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H13Br2NO2/c1-7-11(4-5-17-7)15-12(16)9-3-2-8(13)6-10(9)14/h2-3,6-7,11H,4-5H2,1H3,(H,15,16)
InChIKeyWHIJHOKDVDVLCG-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.05
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dibromobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107938073
2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 114011379
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726426
2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82725770
4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 115868342
2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide
CID 107075822
2-amino-4-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82727863
2,4-dibromo-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 107951942
3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide
CID 99606496
2,4-dibromo-N-(2-chlorocycloheptyl)benzamide
CID 107941355

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide (CID 103883477) is 2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide is CC1OCCC1NC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is WHIJHOKDVDVLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NO2/c1-7-11(4-5-17-7)15-12(16)9-3-2-8(13)6-10(9)14/h2-3,6-7,11H,4-5H2,1H3,(H,15,16).
What are the key properties of 2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide?
2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 363.05 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 103883477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).