3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide

C13H15BrFNO3 — CID 104709027

IUPAC3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
SMILESCOC1(CNC(=O)c2ccc(F)c(Br)c2)CCOC1
InChIInChI=1S/C13H15BrFNO3/c1-18-13(4-5-19-8-13)7-16-12(17)9-2-3-11(15)10(14)6-9/h2-3,6H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyYHKOJXCZAWYTPC-UHFFFAOYSA-N
MW332.17 g/mol
LogP2.12
Rot. Bonds4

About 3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide

3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide (PubChem CID 104709027) has the molecular formula C13H15BrFNO3 and a molecular weight of 332.17 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
PubChem CID104709027
Molecular FormulaC13H15BrFNO3
Molecular Weight332.17 g/mol
Exact Mass331.02
IUPAC Name3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
SMILESCOC1(CNC(=O)c2ccc(F)c(Br)c2)CCOC1
InChIInChI=1S/C13H15BrFNO3/c1-18-13(4-5-19-8-13)7-16-12(17)9-2-3-11(15)10(14)6-9/h2-3,6H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyYHKOJXCZAWYTPC-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide
CID 104764689
4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 104765742
2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758342
5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104708991
N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 104761389
5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide
CID 104708936
3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758337
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide
CID 104758367
3-[(3-bromo-4-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 103925896
3-bromo-4-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107952526
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide
CID 103839324
1-[[(3-bromo-4-fluorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103791307

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide (CID 104709027) is 3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide is COC1(CNC(=O)c2ccc(F)c(Br)c2)CCOC1.
What is the InChIKey of 3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The InChIKey is YHKOJXCZAWYTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO3/c1-18-13(4-5-19-8-13)7-16-12(17)9-2-3-11(15)10(14)6-9/h2-3,6H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide has a molecular weight of 332.17 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide is sourced from PubChem (CID 104709027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).