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

C14H11F2NO2 — CID 58928302

IUPAC(NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(/C(=N\O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C14H11F2NO2/c1-19-11-5-2-9(3-6-11)14(17-18)12-7-4-10(15)8-13(12)16/h2-8,18H,1H3/b17-14+
InChIKeyXFWPSGWMZPTEQA-SAPNQHFASA-N
MW263.24 g/mol
LogP3.20
Rot. Bonds3

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

(NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine (PubChem CID 58928302) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is (NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine
PubChem CID58928302
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name(NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine
SMILESCOc1ccc(/C(=N\O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C14H11F2NO2/c1-19-11-5-2-9(3-6-11)14(17-18)12-7-4-10(15)8-13(12)16/h2-8,18H,1H3/b17-14+
InChIKeyXFWPSGWMZPTEQA-SAPNQHFASA-N
XLogP3.20
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.20
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

2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol
CID 4224986
4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol
CID 135881447
2-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-4-methoxyphenol
CID 135881446
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol
CID 4154047
N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine
CID 88635833
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine
CID 162650517
2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28560292
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772
(5-fluoro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone
CID 10354543
(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one
CID 86591919

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine (CID 58928302) is (NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine is COc1ccc(/C(=N\O)c2ccc(F)cc2F)cc1.
What is the InChIKey of (NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine?
The InChIKey is XFWPSGWMZPTEQA-SAPNQHFASA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-19-11-5-2-9(3-6-11)14(17-18)12-7-4-10(15)8-13(12)16/h2-8,18H,1H3/b17-14+.
What are the key properties of (NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine has a molecular weight of 263.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 58928302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).