N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine

C14H11ClFNO2 — CID 20989770

IUPACN-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1cccc(OCc2c(F)cccc2Cl)c1
InChIInChI=1S/C14H11ClFNO2/c15-13-5-2-6-14(16)12(13)9-19-11-4-1-3-10(7-11)8-17-18/h1-8,18H,9H2
InChIKeyJRRMXGJVVDXHEB-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.87
Rot. Bonds4

About N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine

N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 20989770) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID20989770
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC NameN-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESON=Cc1cccc(OCc2c(F)cccc2Cl)c1
InChIInChI=1S/C14H11ClFNO2/c15-13-5-2-6-14(16)12(13)9-19-11-4-1-3-10(7-11)8-17-18/h1-8,18H,9H2
InChIKeyJRRMXGJVVDXHEB-UHFFFAOYSA-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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Related Compounds

N-[(E)-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110340711
N-[[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22680259
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20987989
2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]propanedinitrile
CID 50871381
(NZ)-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681560
(NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 42233568
N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22685923
N'-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 4072361
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
N'-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 5098627
N-[[3-bromo-5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22680621
[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 110340726

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 20989770) is N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine is ON=Cc1cccc(OCc2c(F)cccc2Cl)c1.
What is the InChIKey of N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is JRRMXGJVVDXHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-13-5-2-6-14(16)12(13)9-19-11-4-1-3-10(7-11)8-17-18/h1-8,18H,9H2.
What are the key properties of N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
N-[[3-[(2-chloro-6-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 N-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 20989770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).