2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide

C13H15BrFNO2 — CID 113342855

IUPAC2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1c(F)cccc1Br)C1CCOC1
InChIInChI=1S/C13H15BrFNO2/c1-8(9-5-6-18-7-9)16-13(17)12-10(14)3-2-4-11(12)15/h2-4,8-9H,5-7H2,1H3,(H,16,17)
InChIKeyCPKSWRIXUVZJNJ-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.74
Rot. Bonds3

About 2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide

2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide (PubChem CID 113342855) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
PubChem CID113342855
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1c(F)cccc1Br)C1CCOC1
InChIInChI=1S/C13H15BrFNO2/c1-8(9-5-6-18-7-9)16-13(17)12-10(14)3-2-4-11(12)15/h2-4,8-9H,5-7H2,1H3,(H,16,17)
InChIKeyCPKSWRIXUVZJNJ-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-hydroxy-N-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 99614822
3-bromo-2-chloro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 103990950
2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 115736933
6-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridine-2-carboxamide
CID 115869095
5-chloro-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241572
3-hydroxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113366833
2-bromo-6-fluoro-N-[(3S)-oxan-3-yl]benzamide
CID 97221363
3-[[(1R)-1-[(3R)-oxolan-3-yl]ethyl]carbamoyl]benzoic acid
CID 124595766
4-[1-(oxolan-3-yl)ethylcarbamoyl]benzoic acid
CID 113263166
2-iodo-3-methyl-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241559
2-bromo-5-methoxy-N-[1-(oxolan-3-yl)ethyl]benzamide
CID 113241573
3-fluoro-2-(methylamino)-N-[1-(oxolan-3-yl)ethyl]pyridine-4-carboxamide
CID 105387635

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide (CID 113342855) is 2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide is CC(NC(=O)c1c(F)cccc1Br)C1CCOC1.
What is the InChIKey of 2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is CPKSWRIXUVZJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c1-8(9-5-6-18-7-9)16-13(17)12-10(14)3-2-4-11(12)15/h2-4,8-9H,5-7H2,1H3,(H,16,17).
What are the key properties of 2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide?
2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 316.17 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-[1-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 113342855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).