(NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine

C15H13ClFNO3 — CID 6898242

IUPAC(NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cc(/C=N/O)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C15H13ClFNO3/c1-20-14-7-10(8-18-19)6-12(16)15(14)21-9-11-4-2-3-5-13(11)17/h2-8,19H,9H2,1H3/b18-8+
InChIKeyUHFCTRHQCZQCIX-QGMBQPNBSA-N
MW309.72 g/mol
LogP3.87
Rot. Bonds5

About (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine

(NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 6898242) has the molecular formula C15H13ClFNO3 and a molecular weight of 309.72 g/mol. Its IUPAC name is (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
PubChem CID6898242
Molecular FormulaC15H13ClFNO3
Molecular Weight309.72 g/mol
Exact Mass309.06
IUPAC Name(NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine
SMILESCOc1cc(/C=N/O)cc(Cl)c1OCc1ccccc1F
InChIInChI=1S/C15H13ClFNO3/c1-20-14-7-10(8-18-19)6-12(16)15(14)21-9-11-4-2-3-5-13(11)17/h2-8,19H,9H2,1H3/b18-8+
InChIKeyUHFCTRHQCZQCIX-QGMBQPNBSA-N
XLogP3.87
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine (CID 6898242) is (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine is COc1cc(/C=N/O)cc(Cl)c1OCc1ccccc1F.
What is the InChIKey of (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine?
The InChIKey is UHFCTRHQCZQCIX-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H13ClFNO3/c1-20-14-7-10(8-18-19)6-12(16)15(14)21-9-11-4-2-3-5-13(11)17/h2-8,19H,9H2,1H3/b18-8+.
What are the key properties of (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine?
(NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine has a molecular weight of 309.72 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 6898242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).