2-bromo-N-methyl-N-(oxolan-3-yl)benzamide

C12H14BrNO2 — CID 78954018

IUPAC2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1ccccc1Br)C1CCOC1
InChIInChI=1S/C12H14BrNO2/c1-14(9-6-7-16-8-9)12(15)10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3
InChIKeySZZDFQWSPFYJOP-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.31
Rot. Bonds2

About 2-bromo-N-methyl-N-(oxolan-3-yl)benzamide

2-bromo-N-methyl-N-(oxolan-3-yl)benzamide (PubChem CID 78954018) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
PubChem CID78954018
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1ccccc1Br)C1CCOC1
InChIInChI=1S/C12H14BrNO2/c1-14(9-6-7-16-8-9)12(15)10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3
InChIKeySZZDFQWSPFYJOP-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
2-bromo-4-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947672
2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737720
2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214
4-bromo-3-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82744577
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82749573
2-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7259715
2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 43611231
2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 54877660
4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737848
4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947766

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(oxolan-3-yl)benzamide?
The IUPAC name of 2-bromo-N-methyl-N-(oxolan-3-yl)benzamide (CID 78954018) is 2-bromo-N-methyl-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 2-bromo-N-methyl-N-(oxolan-3-yl)benzamide is CN(C(=O)c1ccccc1Br)C1CCOC1.
What is the InChIKey of 2-bromo-N-methyl-N-(oxolan-3-yl)benzamide?
The InChIKey is SZZDFQWSPFYJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c1-14(9-6-7-16-8-9)12(15)10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(oxolan-3-yl)benzamide?
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide has a molecular weight of 284.15 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 78954018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).