(NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine

C16H13ClFNO — CID 6933447

IUPAC(NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine
SMILESCC(/C=N\O)=C(\Cl)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C16H13ClFNO/c1-11(10-19-20)16(17)13-8-6-12(7-9-13)14-4-2-3-5-15(14)18/h2-10,20H,1H3/b16-11+,19-10-
InChIKeyNALTUZHWFHPPAD-ZGQJLEDBSA-N
MW289.74 g/mol
LogP4.92
Rot. Bonds3

About (NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine

(NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine (PubChem CID 6933447) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is (NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine
PubChem CID6933447
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name(NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine
SMILESCC(/C=N\O)=C(\Cl)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C16H13ClFNO/c1-11(10-19-20)16(17)13-8-6-12(7-9-13)14-4-2-3-5-15(14)18/h2-10,20H,1H3/b16-11+,19-10-
InChIKeyNALTUZHWFHPPAD-ZGQJLEDBSA-N
XLogP4.92
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine (CID 6933447) is (NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine is CC(/C=N\O)=C(\Cl)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of (NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine?
The InChIKey is NALTUZHWFHPPAD-ZGQJLEDBSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-11(10-19-20)16(17)13-8-6-12(7-9-13)14-4-2-3-5-15(14)18/h2-10,20H,1H3/b16-11+,19-10-.
What are the key properties of (NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine?
(NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine has a molecular weight of 289.74 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enylidene]hydroxylamine is sourced from PubChem (CID 6933447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).