(NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine

C14H11Cl2NO2 — CID 10957418

IUPAC(NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(/C(=N\O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H11Cl2NO2/c1-19-10-7-5-9(6-8-10)14(17-18)13-11(15)3-2-4-12(13)16/h2-8,18H,1H3/b17-14+
InChIKeyQEDPBKJNBQMDGG-SAPNQHFASA-N
MW296.15 g/mol
LogP4.23
Rot. Bonds3

About (NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 10957418) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is (NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine
PubChem CID10957418
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name(NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(/C(=N\O)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H11Cl2NO2/c1-19-10-7-5-9(6-8-10)14(17-18)13-11(15)3-2-4-12(13)16/h2-8,18H,1H3/b17-14+
InChIKeyQEDPBKJNBQMDGG-SAPNQHFASA-N
XLogP4.23
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 54.23
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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Related Compounds

(NZ)-N-[(2,6-dichlorophenyl)-phenylmethylidene]hydroxylamine
CID 101190052
(1Z)-2-chloro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride
CID 106892085
2-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-4-methoxyphenol
CID 135881446
2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol
CID 4224986
2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
CID 63722745
(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 112694085
(NE)-N-[isoquinolin-1-yl-(4-methoxyphenyl)methylidene]hydroxylamine
CID 135607961
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol
CID 135881447
N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine
CID 162650517
bis(4-methoxyphenyl)phosphoryl-(2,6-dichlorophenyl)methanone
CID 18400312
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine (CID 10957418) is (NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine is COc1ccc(/C(=N\O)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is QEDPBKJNBQMDGG-SAPNQHFASA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c1-19-10-7-5-9(6-8-10)14(17-18)13-11(15)3-2-4-12(13)16/h2-8,18H,1H3/b17-14+.
What are the key properties of (NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 296.15 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,6-dichlorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 10957418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).