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

C9H9BrFNO2 — CID 91249938

IUPAC4-bromo-2-[fluoro(methoxy)methyl]benzamide
SMILESCOC(F)c1cc(Br)ccc1C(N)=O
InChIInChI=1S/C9H9BrFNO2/c1-14-8(11)7-4-5(10)2-3-6(7)9(12)13/h2-4,8H,1H3,(H2,12,13)
InChIKeyGZOWGEYTGJWFHG-UHFFFAOYSA-N
MW262.08 g/mol
LogP2.16
Rot. Bonds3

About 4-bromo-2-[fluoro(methoxy)methyl]benzamide

4-bromo-2-[fluoro(methoxy)methyl]benzamide (PubChem CID 91249938) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is 4-bromo-2-[fluoro(methoxy)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-[fluoro(methoxy)methyl]benzamide
PubChem CID91249938
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name4-bromo-2-[fluoro(methoxy)methyl]benzamide
SMILESCOC(F)c1cc(Br)ccc1C(N)=O
InChIInChI=1S/C9H9BrFNO2/c1-14-8(11)7-4-5(10)2-3-6(7)9(12)13/h2-4,8H,1H3,(H2,12,13)
InChIKeyGZOWGEYTGJWFHG-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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Related Compounds

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CID 70087597
4-bromo-2-methylsulfanylbenzamide
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4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide
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2-(5-bromo-2-carbamoylanilino)-3-methoxypropanoic acid
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4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115401530
4-bromo-2-(fluoromethyl)benzamide
CID 91008252
5-bromo-2-propan-2-yloxybenzamide
CID 17052192
2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115402255
methyl 2-bromo-2-(5-bromo-2-fluorophenyl)acetate
CID 172613347
methyl (2R)-2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 94376434
methyl 2-(5-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 62213936
dimethyl 2-[5-bromo-2-(tert-butylcarbamoyl)phenyl]propanedioate
CID 122394682

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[fluoro(methoxy)methyl]benzamide?
The IUPAC name of 4-bromo-2-[fluoro(methoxy)methyl]benzamide (CID 91249938) is 4-bromo-2-[fluoro(methoxy)methyl]benzamide.
What is the SMILES notation for 4-bromo-2-[fluoro(methoxy)methyl]benzamide?
The canonical SMILES for 4-bromo-2-[fluoro(methoxy)methyl]benzamide is COC(F)c1cc(Br)ccc1C(N)=O.
What is the InChIKey of 4-bromo-2-[fluoro(methoxy)methyl]benzamide?
The InChIKey is GZOWGEYTGJWFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-14-8(11)7-4-5(10)2-3-6(7)9(12)13/h2-4,8H,1H3,(H2,12,13).
What are the key properties of 4-bromo-2-[fluoro(methoxy)methyl]benzamide?
4-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 4-bromo-2-[fluoro(methoxy)methyl]benzamide is sourced from PubChem (CID 91249938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).