(NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine

C16H13Cl2NO — CID 70695869

IUPAC(NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine
SMILESCc1ccc(C(/C=C/c2ccc(Cl)c(Cl)c2)=N/O)cc1
InChIInChI=1S/C16H13Cl2NO/c1-11-2-6-13(7-3-11)16(19-20)9-5-12-4-8-14(17)15(18)10-12/h2-10,20H,1H3/b9-5+,19-16+
InChIKeyUZRDAKVKRANJOY-UKFLXVOXSA-N
MW306.19 g/mol
LogP5.19
Rot. Bonds3

About (NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine

(NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine (PubChem CID 70695869) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is (NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine
PubChem CID70695869
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name(NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine
SMILESCc1ccc(C(/C=C/c2ccc(Cl)c(Cl)c2)=N/O)cc1
InChIInChI=1S/C16H13Cl2NO/c1-11-2-6-13(7-3-11)16(19-20)9-5-12-4-8-14(17)15(18)10-12/h2-10,20H,1H3/b9-5+,19-16+
InChIKeyUZRDAKVKRANJOY-UKFLXVOXSA-N
XLogP5.19
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.19
LogP ≤ 55.19
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 (NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine (CID 70695869) is (NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine is Cc1ccc(C(/C=C/c2ccc(Cl)c(Cl)c2)=N/O)cc1.
What is the InChIKey of (NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine?
The InChIKey is UZRDAKVKRANJOY-UKFLXVOXSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c1-11-2-6-13(7-3-11)16(19-20)9-5-12-4-8-14(17)15(18)10-12/h2-10,20H,1H3/b9-5+,19-16+.
What are the key properties of (NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine?
(NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine has a molecular weight of 306.19 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-3-(3,4-dichlorophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine is sourced from PubChem (CID 70695869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).