(NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

C16H13Cl2NO — CID 6305585

IUPAC(NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESO/N=C1\CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H13Cl2NO/c17-14-7-5-10(9-15(14)18)11-6-8-16(19-20)13-4-2-1-3-12(11)13/h1-5,7,9,11,20H,6,8H2/b19-16+
InChIKeyCGIUOCJZIYTDRG-KNTRCKAVSA-N
MW306.19 g/mol
LogP5.10
Rot. Bonds1

About (NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

(NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 6305585) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is (NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID6305585
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name(NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESO/N=C1\CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C16H13Cl2NO/c17-14-7-5-10(9-15(14)18)11-6-8-16(19-20)13-4-2-1-3-12(11)13/h1-5,7,9,11,20H,6,8H2/b19-16+
InChIKeyCGIUOCJZIYTDRG-KNTRCKAVSA-N
XLogP5.10
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.19
LogP ≤ 55.10
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-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 6305585) is (NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is O/N=C1\CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of (NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is CGIUOCJZIYTDRG-KNTRCKAVSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c17-14-7-5-10(9-15(14)18)11-6-8-16(19-20)13-4-2-1-3-12(11)13/h1-5,7,9,11,20H,6,8H2/b19-16+.
What are the key properties of (NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
(NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 306.19 g/mol, XLogP of 5.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 6305585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).