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

C15H12ClFN2O3 — CID 124555225

IUPAC2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1/C=N/O)Nc1ccccc1F
InChIInChI=1S/C15H12ClFN2O3/c16-11-5-6-14(10(7-11)8-18-21)22-9-15(20)19-13-4-2-1-3-12(13)17/h1-8,21H,9H2,(H,19,20)/b18-8+
InChIKeyVWPDONWABPWZLJ-QGMBQPNBSA-N
MW322.72 g/mol
LogP3.30
Rot. Bonds5

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

2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide (PubChem CID 124555225) has the molecular formula C15H12ClFN2O3 and a molecular weight of 322.72 g/mol. Its IUPAC name is 2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
PubChem CID124555225
Molecular FormulaC15H12ClFN2O3
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1/C=N/O)Nc1ccccc1F
InChIInChI=1S/C15H12ClFN2O3/c16-11-5-6-14(10(7-11)8-18-21)22-9-15(20)19-13-4-2-1-3-12(13)17/h1-8,21H,9H2,(H,19,20)/b18-8+
InChIKeyVWPDONWABPWZLJ-QGMBQPNBSA-N
XLogP3.30
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 53.30
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-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 124554760
N'-[(Z)-[5-chloro-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126175285
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
2-[2-bromo-4-(hydroxyiminomethyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 4025119
N'-[(Z)-[2-[2-(benzylamino)-2-oxoethoxy]-5-chlorophenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 126262087
N-(4-chloro-2-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 7961385
N'-[(Z)-(5-chloro-2-prop-2-enoxyphenyl)methylideneamino]-N-(2-fluorophenyl)oxamide
CID 8989282
N-[(E)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 124548764
4-chloro-N-[(E)-[5-chloro-2-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 124552187
2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126384549
2-[4-chloro-2-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126382880
N-[(E)-[3-chloro-4-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 124551297

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide (CID 124555225) is 2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide is O=C(COc1ccc(Cl)cc1/C=N/O)Nc1ccccc1F.
What is the InChIKey of 2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide?
The InChIKey is VWPDONWABPWZLJ-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H12ClFN2O3/c16-11-5-6-14(10(7-11)8-18-21)22-9-15(20)19-13-4-2-1-3-12(13)17/h1-8,21H,9H2,(H,19,20)/b18-8+.
What are the key properties of 2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide?
2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide has a molecular weight of 322.72 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(E)-hydroxyiminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 124555225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).