(NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine

C16H14FNO2 — CID 70683246

IUPAC(NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine
SMILESCOc1ccc(C(/C=C/c2ccc(F)cc2)=N/O)cc1
InChIInChI=1S/C16H14FNO2/c1-20-15-9-5-13(6-10-15)16(18-19)11-4-12-2-7-14(17)8-3-12/h2-11,19H,1H3/b11-4+,18-16+
InChIKeyKIXNZOQNTLWQCF-KOWFSFSHSA-N
MW271.29 g/mol
LogP3.73
Rot. Bonds4

About (NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine

(NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine (PubChem CID 70683246) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is (NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine
PubChem CID70683246
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name(NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine
SMILESCOc1ccc(C(/C=C/c2ccc(F)cc2)=N/O)cc1
InChIInChI=1S/C16H14FNO2/c1-20-15-9-5-13(6-10-15)16(18-19)11-4-12-2-7-14(17)8-3-12/h2-11,19H,1H3/b11-4+,18-16+
InChIKeyKIXNZOQNTLWQCF-KOWFSFSHSA-N
XLogP3.73
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine (CID 70683246) is (NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine is COc1ccc(C(/C=C/c2ccc(F)cc2)=N/O)cc1.
What is the InChIKey of (NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine?
The InChIKey is KIXNZOQNTLWQCF-KOWFSFSHSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-20-15-9-5-13(6-10-15)16(18-19)11-4-12-2-7-14(17)8-3-12/h2-11,19H,1H3/b11-4+,18-16+.
What are the key properties of (NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine?
(NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine has a molecular weight of 271.29 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)prop-2-enylidene]hydroxylamine is sourced from PubChem (CID 70683246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).