(NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine

C18H18Cl2N2O2 — CID 45126946

IUPAC(NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine
SMILESO/N=C(\CCCC/C(=N\O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c19-15-9-5-13(6-10-15)17(21-23)3-1-2-4-18(22-24)14-7-11-16(20)12-8-14/h5-12,23-24H,1-4H2/b21-17+,22-18+
InChIKeyCFILHQACDIOUTG-KSTNYAOJSA-N
MW365.26 g/mol
LogP5.61
Rot. Bonds7

About (NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine

(NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine (PubChem CID 45126946) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is (NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine
PubChem CID45126946
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name(NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine
SMILESO/N=C(\CCCC/C(=N\O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl2N2O2/c19-15-9-5-13(6-10-15)17(21-23)3-1-2-4-18(22-24)14-7-11-16(20)12-8-14/h5-12,23-24H,1-4H2/b21-17+,22-18+
InChIKeyCFILHQACDIOUTG-KSTNYAOJSA-N
XLogP5.61
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.26
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-[2-amino-1-(4-chlorophenyl)ethylidene]hydroxylamine
CID 5358741
N-[1-(4-chlorophenyl)propylidene]hydroxylamine
CID 74054167
N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine
CID 136913036
4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135822572
4-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 136661885
N-[1-(4-chlorophenyl)-4-[2-(3-piperidin-1-ylpropyl)phenyl]butylidene]hydroxylamine
CID 88690472
(NE)-N-[1-(4-chlorophenyl)-2-(1,2,4-triazol-4-yl)ethylidene]hydroxylamine
CID 11776295
(6Z)-6-hydroxyimino-6-phenylhexanoic acid
CID 121009203
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
6-(4-bromophenyl)-6-hydroxyiminohexanenitrile
CID 88812798
(NE)-N-[arsanyl-(4-chlorophenyl)methylidene]hydroxylamine
CID 173159716

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine (CID 45126946) is (NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine is O/N=C(\CCCC/C(=N\O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine?
The InChIKey is CFILHQACDIOUTG-KSTNYAOJSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c19-15-9-5-13(6-10-15)17(21-23)3-1-2-4-18(22-24)14-7-11-16(20)12-8-14/h5-12,23-24H,1-4H2/b21-17+,22-18+.
What are the key properties of (NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine?
(NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine has a molecular weight of 365.26 g/mol, XLogP of 5.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(6E)-1,6-bis(4-chlorophenyl)-6-hydroxyiminohexylidene]hydroxylamine is sourced from PubChem (CID 45126946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).