4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide

C13H16BrNO2 — CID 115868342

IUPAC4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCc1cc(C(=O)NC2CCOC2C)ccc1Br
InChIInChI=1S/C13H16BrNO2/c1-8-7-10(3-4-11(8)14)13(16)15-12-5-6-17-9(12)2/h3-4,7,9,12H,5-6H2,1-2H3,(H,15,16)
InChIKeyHKSRBGNUJNDWQS-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.66
Rot. Bonds2

About 4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide

4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 115868342) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
PubChem CID115868342
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCc1cc(C(=O)NC2CCOC2C)ccc1Br
InChIInChI=1S/C13H16BrNO2/c1-8-7-10(3-4-11(8)14)13(16)15-12-5-6-17-9(12)2/h3-4,7,9,12H,5-6H2,1-2H3,(H,15,16)
InChIKeyHKSRBGNUJNDWQS-UHFFFAOYSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-methyloxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 82729029
4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
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3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide
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4-bromo-N-cyclopentyl-3-methylbenzamide
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3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 103872396
2,4-dibromo-N-(2-methyloxolan-3-yl)benzamide
CID 103883477
3-bromo-4-methyl-N-(2-methyloxolan-3-yl)-5-sulfamoylbenzamide
CID 82731669
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 113396728
4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726426
4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide
CID 113339251

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide (CID 115868342) is 4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide is Cc1cc(C(=O)NC2CCOC2C)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is HKSRBGNUJNDWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-8-7-10(3-4-11(8)14)13(16)15-12-5-6-17-9(12)2/h3-4,7,9,12H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide?
4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 298.18 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 115868342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).