3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide

C12H13BrFNO — CID 103706830

IUPAC3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCC1CC1CNC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H13BrFNO/c1-7-4-9(7)6-15-12(16)8-2-3-11(14)10(13)5-8/h2-3,5,7,9H,4,6H2,1H3,(H,15,16)
InChIKeySOLCTMRSWDSION-UHFFFAOYSA-N
MW286.14 g/mol
LogP2.97
Rot. Bonds3

About 3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide

3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide (PubChem CID 103706830) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide
PubChem CID103706830
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCC1CC1CNC(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H13BrFNO/c1-7-4-9(7)6-15-12(16)8-2-3-11(14)10(13)5-8/h2-3,5,7,9H,4,6H2,1H3,(H,15,16)
InChIKeySOLCTMRSWDSION-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 115590000
3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 113244888
3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943825
3-bromo-N-[(4-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 114147917
3-bromo-N-(2-bromo-3-methylbutyl)-4-fluorobenzamide
CID 107956828
2-fluoro-N-[(2-methylcyclopropyl)methyl]-5-sulfanylbenzamide
CID 107035038
N-(2-aminopropyl)-3-bromo-4-fluorobenzamide
CID 107956111
3-bromo-4-fluoro-N-(3-methylbut-2-enyl)benzamide
CID 103528184
4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115745696
3-bromo-4-fluoro-N-(2-methylcycloheptyl)benzamide
CID 114020017
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide
CID 103839324
3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide
CID 107951613

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide (CID 103706830) is 3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide is CC1CC1CNC(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide?
The InChIKey is SOLCTMRSWDSION-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c1-7-4-9(7)6-15-12(16)8-2-3-11(14)10(13)5-8/h2-3,5,7,9H,4,6H2,1H3,(H,15,16).
What are the key properties of 3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide?
3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide has a molecular weight of 286.14 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 103706830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).