(NE)-N-[[4-(2-chlorophenyl)piperazin-1-yl]-(2,3-dichlorophenyl)methylidene]hydroxylamine

C17H16Cl3N3O — CID 151765360

IUPAC(NE)-N-[[4-(2-chlorophenyl)piperazin-1-yl]-(2,3-dichlorophenyl)methylidene]hydroxylamine
SMILESO/N=C(\c1cccc(Cl)c1Cl)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H16Cl3N3O/c18-13-5-1-2-7-15(13)22-8-10-23(11-9-22)17(21-24)12-4-3-6-14(19)16(12)20/h1-7,24H,8-11H2/b21-17+
InChIKeyRRLKTYNWSVJEOZ-HEHNFIMWSA-N
MW384.69 g/mol
LogP4.60
Rot. Bonds2

About (NE)-N-[[4-(2-chlorophenyl)piperazin-1-yl]-(2,3-dichlorophenyl)methylidene]hydroxylamine

(NE)-N-[[4-(2-chlorophenyl)piperazin-1-yl]-(2,3-dichlorophenyl)methylidene]hydroxylamine (PubChem CID 151765360) has the molecular formula C17H16Cl3N3O and a molecular weight of 384.69 g/mol. Its IUPAC name is (NE)-N-[[4-(2-chlorophenyl)piperazin-1-yl]-(2,3-dichlorophenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-(2-chlorophenyl)piperazin-1-yl]-(2,3-dichlorophenyl)methylidene]hydroxylamine
PubChem CID151765360
Molecular FormulaC17H16Cl3N3O
Molecular Weight384.69 g/mol
Exact Mass383.04
IUPAC Name(NE)-N-[[4-(2-chlorophenyl)piperazin-1-yl]-(2,3-dichlorophenyl)methylidene]hydroxylamine
SMILESO/N=C(\c1cccc(Cl)c1Cl)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H16Cl3N3O/c18-13-5-1-2-7-15(13)22-8-10-23(11-9-22)17(21-24)12-4-3-6-14(19)16(12)20/h1-7,24H,8-11H2/b21-17+
InChIKeyRRLKTYNWSVJEOZ-HEHNFIMWSA-N
XLogP4.60
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.69
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-(2-chlorophenyl)piperazin-1-yl]-(2,3-dichlorophenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-(2-chlorophenyl)piperazin-1-yl]-(2,3-dichlorophenyl)methylidene]hydroxylamine (CID 151765360) is (NE)-N-[[4-(2-chlorophenyl)piperazin-1-yl]-(2,3-dichlorophenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-(2-chlorophenyl)piperazin-1-yl]-(2,3-dichlorophenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-(2-chlorophenyl)piperazin-1-yl]-(2,3-dichlorophenyl)methylidene]hydroxylamine is O/N=C(\c1cccc(Cl)c1Cl)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of (NE)-N-[[4-(2-chlorophenyl)piperazin-1-yl]-(2,3-dichlorophenyl)methylidene]hydroxylamine?
The InChIKey is RRLKTYNWSVJEOZ-HEHNFIMWSA-N. The full InChI is InChI=1S/C17H16Cl3N3O/c18-13-5-1-2-7-15(13)22-8-10-23(11-9-22)17(21-24)12-4-3-6-14(19)16(12)20/h1-7,24H,8-11H2/b21-17+.
What are the key properties of (NE)-N-[[4-(2-chlorophenyl)piperazin-1-yl]-(2,3-dichlorophenyl)methylidene]hydroxylamine?
(NE)-N-[[4-(2-chlorophenyl)piperazin-1-yl]-(2,3-dichlorophenyl)methylidene]hydroxylamine has a molecular weight of 384.69 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-(2-chlorophenyl)piperazin-1-yl]-(2,3-dichlorophenyl)methylidene]hydroxylamine is sourced from PubChem (CID 151765360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).