4-bromo-2-fluoro-N-(methoxymethyl)benzamide

C9H9BrFNO2 — CID 71433414

IUPAC4-bromo-2-fluoro-N-(methoxymethyl)benzamide
SMILESCOCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C9H9BrFNO2/c1-14-5-12-9(13)7-3-2-6(10)4-8(7)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyQZLQXVQYXYAPDR-UHFFFAOYSA-N
MW262.08 g/mol
LogP1.92
Rot. Bonds3

About 4-bromo-2-fluoro-N-(methoxymethyl)benzamide

4-bromo-2-fluoro-N-(methoxymethyl)benzamide (PubChem CID 71433414) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(methoxymethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(methoxymethyl)benzamide
PubChem CID71433414
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name4-bromo-2-fluoro-N-(methoxymethyl)benzamide
SMILESCOCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C9H9BrFNO2/c1-14-5-12-9(13)7-3-2-6(10)4-8(7)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyQZLQXVQYXYAPDR-UHFFFAOYSA-N
XLogP1.92
TPSA38.33 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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 43090254
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2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate
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4-bromo-2-fluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103722151
4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965747
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
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4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
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4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
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CID 166179858

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(methoxymethyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(methoxymethyl)benzamide (CID 71433414) is 4-bromo-2-fluoro-N-(methoxymethyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(methoxymethyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(methoxymethyl)benzamide is COCNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(methoxymethyl)benzamide?
The InChIKey is QZLQXVQYXYAPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-14-5-12-9(13)7-3-2-6(10)4-8(7)11/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 4-bromo-2-fluoro-N-(methoxymethyl)benzamide?
4-bromo-2-fluoro-N-(methoxymethyl)benzamide has a molecular weight of 262.08 g/mol, XLogP of 1.92, 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-N-(methoxymethyl)benzamide is sourced from PubChem (CID 71433414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).