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

C14H11ClFNO2 — CID 6898101

IUPAC(NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(OCc2ccccc2F)c(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c15-12-7-10(8-17-18)5-6-14(12)19-9-11-3-1-2-4-13(11)16/h1-8,18H,9H2/b17-8+
InChIKeyXSTRSHVVFZMLFQ-CAOOACKPSA-N
MW279.70 g/mol
LogP3.87
Rot. Bonds4

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

(NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 6898101) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID6898101
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name(NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(OCc2ccccc2F)c(Cl)c1
InChIInChI=1S/C14H11ClFNO2/c15-12-7-10(8-17-18)5-6-14(12)19-9-11-3-1-2-4-13(11)16/h1-8,18H,9H2/b17-8+
InChIKeyXSTRSHVVFZMLFQ-CAOOACKPSA-N
XLogP3.87
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.87
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 (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 6898101) is (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine is O/N=C/c1ccc(OCc2ccccc2F)c(Cl)c1.
What is the InChIKey of (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is XSTRSHVVFZMLFQ-CAOOACKPSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-12-7-10(8-17-18)5-6-14(12)19-9-11-3-1-2-4-13(11)16/h1-8,18H,9H2/b17-8+.
What are the key properties of (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
(NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 279.70 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 6898101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).