2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide

C15H13FN2O2 — CID 23732371

IUPAC2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(/C=N/c2cccc(F)c2)cc1
InChIInChI=1S/C15H13FN2O2/c16-12-2-1-3-13(8-12)18-9-11-4-6-14(7-5-11)20-10-15(17)19/h1-9H,10H2,(H2,17,19)/b18-9+
InChIKeyBXONOHTYQSESIR-GIJQJNRQSA-N
MW272.28 g/mol
LogP2.44
Rot. Bonds5

About 2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide

2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide (PubChem CID 23732371) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide
PubChem CID23732371
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(/C=N/c2cccc(F)c2)cc1
InChIInChI=1S/C15H13FN2O2/c16-12-2-1-3-13(8-12)18-9-11-4-6-14(7-5-11)20-10-15(17)19/h1-9H,10H2,(H2,17,19)/b18-9+
InChIKeyBXONOHTYQSESIR-GIJQJNRQSA-N
XLogP2.44
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide
CID 4272774
2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]phenoxy]acetamide
CID 52921212
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide
CID 96885337
propan-2-yl 2-[4-[(3-hydroxyphenyl)iminomethyl]phenoxy]acetate
CID 126195598
2-[4-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetamide
CID 76873988
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide
CID 134031178
propan-2-yl 2-[4-[(3-ethoxyphenyl)iminomethyl]phenoxy]acetate
CID 126191295
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]oxyacetic acid
CID 77013169
2-[4-[(Z)-[(4-fluorophenyl)sulfonylhydrazinylidene]methyl]phenoxy]acetamide
CID 6064390
3-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzoic acid
CID 126245308
2-[4-[(3-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126246748

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide (CID 23732371) is 2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide is NC(=O)COc1ccc(/C=N/c2cccc(F)c2)cc1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide?
The InChIKey is BXONOHTYQSESIR-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-12-2-1-3-13(8-12)18-9-11-4-6-14(7-5-11)20-10-15(17)19/h1-9H,10H2,(H2,17,19)/b18-9+.
What are the key properties of 2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide?
2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide has a molecular weight of 272.28 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)iminomethyl]phenoxy]acetamide is sourced from PubChem (CID 23732371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).