2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide

C16H14BrFN2O2 — CID 2108303

IUPAC2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)C=NOCc1ccc(Br)cc1F
InChIInChI=1S/C16H14BrFN2O2/c1-11-4-2-3-5-15(11)20-16(21)9-19-22-10-12-6-7-13(17)8-14(12)18/h2-9H,10H2,1H3,(H,20,21)
InChIKeyLQBVRYNFYREEJY-UHFFFAOYSA-N
MW365.20 g/mol
LogP4.04
Rot. Bonds5

About 2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide

2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide (PubChem CID 2108303) has the molecular formula C16H14BrFN2O2 and a molecular weight of 365.20 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide
PubChem CID2108303
Molecular FormulaC16H14BrFN2O2
Molecular Weight365.20 g/mol
Exact Mass364.02
IUPAC Name2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)C=NOCc1ccc(Br)cc1F
InChIInChI=1S/C16H14BrFN2O2/c1-11-4-2-3-5-15(11)20-16(21)9-19-22-10-12-6-7-13(17)8-14(12)18/h2-9H,10H2,1H3,(H,20,21)
InChIKeyLQBVRYNFYREEJY-UHFFFAOYSA-N
XLogP4.04
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 76856145
2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399302
(2Z)-2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399046
(4-bromo-2-fluorophenyl)methyl 4-amino-3-methylbenzoate
CID 61320680
2-(4-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanone
CID 55096453
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
4-[[(E)-[2-(5-fluoro-2-methylanilino)-2-oxoethylidene]amino]oxymethyl]benzamide
CID 75364546
(E)-N-(4-bromo-2-fluorophenyl)-3-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 53267331
(4-bromo-2-fluorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706123
1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one
CID 63410152
N-(2,3-dimethylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methoxyimino]acetamide
CID 4855071
(2Z)-2-[(3-bromo-4-methoxyphenyl)methoxyimino]-N-(2,4-dimethylphenyl)acetamide
CID 9353788

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide (CID 2108303) is 2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)C=NOCc1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide?
The InChIKey is LQBVRYNFYREEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2/c1-11-4-2-3-5-15(11)20-16(21)9-19-22-10-12-6-7-13(17)8-14(12)18/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide?
2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide has a molecular weight of 365.20 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methoxyimino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 2108303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).