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

C12H13BrFNO2 — CID 78947766

IUPAC4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1ccc(Br)c(F)c1)C1CCOC1
InChIInChI=1S/C12H13BrFNO2/c1-15(9-4-5-17-7-9)12(16)8-2-3-10(13)11(14)6-8/h2-3,6,9H,4-5,7H2,1H3
InChIKeyYQVFIVFRNQDTDN-UHFFFAOYSA-N
MW302.14 g/mol
LogP2.45
Rot. Bonds2

About 4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide

4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide (PubChem CID 78947766) has the molecular formula C12H13BrFNO2 and a molecular weight of 302.14 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
PubChem CID78947766
Molecular FormulaC12H13BrFNO2
Molecular Weight302.14 g/mol
Exact Mass301.01
IUPAC Name4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1ccc(Br)c(F)c1)C1CCOC1
InChIInChI=1S/C12H13BrFNO2/c1-15(9-4-5-17-7-9)12(16)8-2-3-10(13)11(14)6-8/h2-3,6,9H,4-5,7H2,1H3
InChIKeyYQVFIVFRNQDTDN-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

4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737848
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
N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615220
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546980
2-fluoro-4-hydroxy-N-methyl-N-(oxolan-3-yl)benzamide
CID 104929947
4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 55160806
4-bromo-3-[methyl(oxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82744577
2-fluoro-N-methyl-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 82744457
2-fluoro-N-methyl-N-(oxolan-3-yl)-4-sulfamoylbenzamide
CID 82749561
3-fluoro-4-[methyl(oxolan-3-yl)amino]benzoic acid
CID 82739555

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide (CID 78947766) is 4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide is CN(C(=O)c1ccc(Br)c(F)c1)C1CCOC1.
What is the InChIKey of 4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide?
The InChIKey is YQVFIVFRNQDTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO2/c1-15(9-4-5-17-7-9)12(16)8-2-3-10(13)11(14)6-8/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of 4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide?
4-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 4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 78947766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).