[2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone

C17H16FNO2 — CID 58785106

IUPAC[2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone
SMILESCCc1cc(/C=N/OC)ccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO2/c1-3-13-10-12(11-19-21-2)4-9-16(13)17(20)14-5-7-15(18)8-6-14/h4-11H,3H2,1-2H3/b19-11+
InChIKeyFNONJHTVOIVDNM-YBFXNURJSA-N
MW285.32 g/mol
LogP3.60
Rot. Bonds5

About [2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone

[2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone (PubChem CID 58785106) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is [2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone
PubChem CID58785106
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name[2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone
SMILESCCc1cc(/C=N/OC)ccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FNO2/c1-3-13-10-12(11-19-21-2)4-9-16(13)17(20)14-5-7-15(18)8-6-14/h4-11H,3H2,1-2H3/b19-11+
InChIKeyFNONJHTVOIVDNM-YBFXNURJSA-N
XLogP3.60
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
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

(4-fluorophenyl)-[2-(hydroxymethyl)-4-(trityloxyiminomethyl)phenyl]methanone
CID 85327020
(4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone
CID 18779868
(4-fluorophenyl)-[2-(hydroxymethyl)-4-methylphenyl]methanone
CID 20687997
2-(hydroxymethyl)-4-[(E)-methoxyiminomethyl]phenol
CID 137263283
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
4-(methoxyiminomethyl)-N,N-dipropylbenzamide
CID 102603410
[4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone
CID 18779874
methyl 2-methoxy-5-[(E)-methoxyiminomethyl]benzoate
CID 90187627
(2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone
CID 113417691
[5-bromo-2-(4-fluorobenzoyl)phenyl]methyl hypobromite
CID 142226564
(E)-1-(4-ethylphenyl)-N-methoxymethanimine
CID 89096123
(E)-3-(4-fluorophenyl)-1-[4-(methoxymethoxy)-2-methylphenyl]prop-2-en-1-one
CID 167088450

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone (CID 58785106) is [2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone is CCc1cc(/C=N/OC)ccc1C(=O)c1ccc(F)cc1.
What is the InChIKey of [2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is FNONJHTVOIVDNM-YBFXNURJSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-3-13-10-12(11-19-21-2)4-9-16(13)17(20)14-5-7-15(18)8-6-14/h4-11H,3H2,1-2H3/b19-11+.
What are the key properties of [2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone?
[2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 285.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 58785106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).