(NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine

C17H14ClFN4O2 — CID 56679043

IUPAC(NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCc1cn(/C(=N\O)c2ccc(C)nc2Oc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C17H14ClFN4O2/c1-10-3-5-13(16(22-24)23-8-11(2)20-9-23)17(21-10)25-12-4-6-15(19)14(18)7-12/h3-9,24H,1-2H3/b22-16-
InChIKeyKGDNEYSGUYEPKX-JWGURIENSA-N
MW360.78 g/mol
LogP4.16
Rot. Bonds3

About (NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine

(NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine (PubChem CID 56679043) has the molecular formula C17H14ClFN4O2 and a molecular weight of 360.78 g/mol. Its IUPAC name is (NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
PubChem CID56679043
Molecular FormulaC17H14ClFN4O2
Molecular Weight360.78 g/mol
Exact Mass360.08
IUPAC Name(NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
SMILESCc1cn(/C(=N\O)c2ccc(C)nc2Oc2ccc(F)c(Cl)c2)cn1
InChIInChI=1S/C17H14ClFN4O2/c1-10-3-5-13(16(22-24)23-8-11(2)20-9-23)17(21-10)25-12-4-6-15(19)14(18)7-12/h3-9,24H,1-2H3/b22-16-
InChIKeyKGDNEYSGUYEPKX-JWGURIENSA-N
XLogP4.16
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine (CID 56679043) is (NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine is Cc1cn(/C(=N\O)c2ccc(C)nc2Oc2ccc(F)c(Cl)c2)cn1.
What is the InChIKey of (NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
The InChIKey is KGDNEYSGUYEPKX-JWGURIENSA-N. The full InChI is InChI=1S/C17H14ClFN4O2/c1-10-3-5-13(16(22-24)23-8-11(2)20-9-23)17(21-10)25-12-4-6-15(19)14(18)7-12/h3-9,24H,1-2H3/b22-16-.
What are the key properties of (NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine?
(NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine has a molecular weight of 360.78 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 56679043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).