2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide

C15H12BrFN2O3 — CID 4025119

IUPAC2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(C=NO)cc1Br)Nc1ccccc1F
InChIInChI=1S/C15H12BrFN2O3/c16-11-7-10(8-18-21)5-6-14(11)22-9-15(20)19-13-4-2-1-3-12(13)17/h1-8,21H,9H2,(H,19,20)
InChIKeyCUMMVIZEYDBPGJ-UHFFFAOYSA-N
MW367.17 g/mol
LogP3.41
Rot. Bonds5

About 2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide

2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide (PubChem CID 4025119) has the molecular formula C15H12BrFN2O3 and a molecular weight of 367.17 g/mol. Its IUPAC name is 2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide
PubChem CID4025119
Molecular FormulaC15H12BrFN2O3
Molecular Weight367.17 g/mol
Exact Mass366.00
IUPAC Name2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(C=NO)cc1Br)Nc1ccccc1F
InChIInChI=1S/C15H12BrFN2O3/c16-11-7-10(8-18-21)5-6-14(11)22-9-15(20)19-13-4-2-1-3-12(13)17/h1-8,21H,9H2,(H,19,20)
InChIKeyCUMMVIZEYDBPGJ-UHFFFAOYSA-N
XLogP3.41
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.17
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
3-bromo-4-[2-(2-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 45447437
2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide
CID 4960694
2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 124555225
N'-[(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-N-(2-fluorophenyl)propanediamide
CID 5135445
2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide
CID 126387884
4-bromo-N-[(E)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126386661
(E)-3-[3-bromo-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 126383035
2-[2-chloro-4-[(3,4-dichlorophenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126385014
N-[(E)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 124548764
(E)-N-benzyl-3-[3-bromo-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]-2-cyanoprop-2-enamide
CID 126390390
2-[2-bromo-4-[(6-bromo-2-tert-butyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126304676

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide (CID 4025119) is 2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide is O=C(COc1ccc(C=NO)cc1Br)Nc1ccccc1F.
What is the InChIKey of 2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide?
The InChIKey is CUMMVIZEYDBPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O3/c16-11-7-10(8-18-21)5-6-14(11)22-9-15(20)19-13-4-2-1-3-12(13)17/h1-8,21H,9H2,(H,19,20).
What are the key properties of 2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide?
2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide has a molecular weight of 367.17 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 4025119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).