5-bromo-2-[fluoro(methoxy)methyl]benzamide

C9H9BrFNO2 — CID 90972533

IUPAC5-bromo-2-[fluoro(methoxy)methyl]benzamide
SMILESCOC(F)c1ccc(Br)cc1C(N)=O
InChIInChI=1S/C9H9BrFNO2/c1-14-8(11)6-3-2-5(10)4-7(6)9(12)13/h2-4,8H,1H3,(H2,12,13)
InChIKeyJMLDPOMGFBFTQK-UHFFFAOYSA-N
MW262.08 g/mol
LogP2.16
Rot. Bonds3

About 5-bromo-2-[fluoro(methoxy)methyl]benzamide

5-bromo-2-[fluoro(methoxy)methyl]benzamide (PubChem CID 90972533) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is 5-bromo-2-[fluoro(methoxy)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-[fluoro(methoxy)methyl]benzamide
PubChem CID90972533
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name5-bromo-2-[fluoro(methoxy)methyl]benzamide
SMILESCOC(F)c1ccc(Br)cc1C(N)=O
InChIInChI=1S/C9H9BrFNO2/c1-14-8(11)6-3-2-5(10)4-7(6)9(12)13/h2-4,8H,1H3,(H2,12,13)
InChIKeyJMLDPOMGFBFTQK-UHFFFAOYSA-N
XLogP2.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[fluoro(methoxy)methyl]benzamide?
The IUPAC name of 5-bromo-2-[fluoro(methoxy)methyl]benzamide (CID 90972533) is 5-bromo-2-[fluoro(methoxy)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-[fluoro(methoxy)methyl]benzamide?
The canonical SMILES for 5-bromo-2-[fluoro(methoxy)methyl]benzamide is COC(F)c1ccc(Br)cc1C(N)=O.
What is the InChIKey of 5-bromo-2-[fluoro(methoxy)methyl]benzamide?
The InChIKey is JMLDPOMGFBFTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-14-8(11)6-3-2-5(10)4-7(6)9(12)13/h2-4,8H,1H3,(H2,12,13).
What are the key properties of 5-bromo-2-[fluoro(methoxy)methyl]benzamide?
5-bromo-2-[fluoro(methoxy)methyl]benzamide has a molecular weight of 262.08 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[fluoro(methoxy)methyl]benzamide is sourced from PubChem (CID 90972533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).