N-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine

C15H14ClNO2 — CID 3836516

IUPACN-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine
SMILESCOC(C(=NO)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H14ClNO2/c1-19-15(12-5-3-2-4-6-12)14(17-18)11-7-9-13(16)10-8-11/h2-10,15,18H,1H3
InChIKeyGWIGKMUIRGDAEF-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.91
Rot. Bonds4

About N-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine

N-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine (PubChem CID 3836516) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine
PubChem CID3836516
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC NameN-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine
SMILESCOC(C(=NO)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H14ClNO2/c1-19-15(12-5-3-2-4-6-12)14(17-18)11-7-9-13(16)10-8-11/h2-10,15,18H,1H3
InChIKeyGWIGKMUIRGDAEF-UHFFFAOYSA-N
XLogP3.91
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine?
The IUPAC name of N-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine (CID 3836516) is N-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine is COC(C(=NO)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine?
The InChIKey is GWIGKMUIRGDAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-19-15(12-5-3-2-4-6-12)14(17-18)11-7-9-13(16)10-8-11/h2-10,15,18H,1H3.
What are the key properties of N-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine?
N-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine has a molecular weight of 275.74 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine is sourced from PubChem (CID 3836516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).