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

C12H13BrFNO2 — CID 82737720

IUPAC2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1cccc(F)c1Br)C1CCOC1
InChIInChI=1S/C12H13BrFNO2/c1-15(8-5-6-17-7-8)12(16)9-3-2-4-10(14)11(9)13/h2-4,8H,5-7H2,1H3
InChIKeyCFMRGOMNJIUXAC-UHFFFAOYSA-N
MW302.14 g/mol
LogP2.45
Rot. Bonds2

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

2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide (PubChem CID 82737720) has the molecular formula C12H13BrFNO2 and a molecular weight of 302.14 g/mol. Its IUPAC name is 2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
PubChem CID82737720
Molecular FormulaC12H13BrFNO2
Molecular Weight302.14 g/mol
Exact Mass301.01
IUPAC Name2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1cccc(F)c1Br)C1CCOC1
InChIInChI=1S/C12H13BrFNO2/c1-15(8-5-6-17-7-8)12(16)9-3-2-4-10(14)11(9)13/h2-4,8H,5-7H2,1H3
InChIKeyCFMRGOMNJIUXAC-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
2-bromo-4-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947672
2-fluoro-N-methyl-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 79885803
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide
CID 104929947
4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947766
4,5-difluoro-N-methyl-2-nitro-N-(oxolan-3-yl)benzamide
CID 78997229
N-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide
CID 82734909
2-hydroxy-N-methyl-3-nitro-N-[(3S)-oxolan-3-yl]benzamide
CID 99716959
2-fluoro-N-methyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 82744457
2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide
CID 82749561
2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide?
The IUPAC name of 2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide (CID 82737720) is 2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide is CN(C(=O)c1cccc(F)c1Br)C1CCOC1.
What is the InChIKey of 2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide?
The InChIKey is CFMRGOMNJIUXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO2/c1-15(8-5-6-17-7-8)12(16)9-3-2-4-10(14)11(9)13/h2-4,8H,5-7H2,1H3.
What are the key properties of 2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide?
2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide has a molecular weight of 302.14 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 82737720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).