N-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide

C15H13FN2O3 — CID 124551098

IUPACN-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide
SMILESO=C(COc1cccc(/C=N/O)c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O3/c16-12-4-6-13(7-5-12)18-15(19)10-21-14-3-1-2-11(8-14)9-17-20/h1-9,20H,10H2,(H,18,19)/b17-9+
InChIKeyGGLKISNTJTUBPG-RQZCQDPDSA-N
MW288.28 g/mol
LogP2.65
Rot. Bonds5

About N-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide

N-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide (PubChem CID 124551098) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide
PubChem CID124551098
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC NameN-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide
SMILESO=C(COc1cccc(/C=N/O)c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O3/c16-12-4-6-13(7-5-12)18-15(19)10-21-14-3-1-2-11(8-14)9-17-20/h1-9,20H,10H2,(H,18,19)/b17-9+
InChIKeyGGLKISNTJTUBPG-RQZCQDPDSA-N
XLogP2.65
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.65
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

N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126277729
N'-[(Z)-[3-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126266822
N-[(2S)-butan-2-yl]-N'-[(Z)-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126264504
N-(4-fluorophenyl)-2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]acetamide
CID 3619627
N'-[(Z)-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methoxypropyl)oxamide
CID 126174676
N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide
CID 1285426
3-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 900818
N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870253
2-[3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 4236727
N-[(E)-[3-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126271569
N-(4-fluorophenyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
CID 16634060
N-[(E)-[3-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 126256143

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide (CID 124551098) is N-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide is O=C(COc1cccc(/C=N/O)c1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide?
The InChIKey is GGLKISNTJTUBPG-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-12-4-6-13(7-5-12)18-15(19)10-21-14-3-1-2-11(8-14)9-17-20/h1-9,20H,10H2,(H,18,19)/b17-9+.
What are the key properties of N-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide?
N-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide has a molecular weight of 288.28 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-[(E)-hydroxyiminomethyl]phenoxy]acetamide is sourced from PubChem (CID 124551098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).