(NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine

C14H10ClF2NO2 — CID 89444710

IUPAC(NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C14H10ClF2NO2/c15-11-2-4-14(10(5-11)7-18-19)20-8-9-1-3-12(16)6-13(9)17/h1-7,19H,8H2/b18-7+
InChIKeyAUOIVZVDRTVTED-CNHKJKLMSA-N
MW297.69 g/mol
LogP4.01
Rot. Bonds4

About (NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine

(NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine (PubChem CID 89444710) has the molecular formula C14H10ClF2NO2 and a molecular weight of 297.69 g/mol. Its IUPAC name is (NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
PubChem CID89444710
Molecular FormulaC14H10ClF2NO2
Molecular Weight297.69 g/mol
Exact Mass297.04
IUPAC Name(NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C14H10ClF2NO2/c15-11-2-4-14(10(5-11)7-18-19)20-8-9-1-3-12(16)6-13(9)17/h1-7,19H,8H2/b18-7+
InChIKeyAUOIVZVDRTVTED-CNHKJKLMSA-N
XLogP4.01
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.69
LogP ≤ 54.01
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

(NE)-N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898054
N-[[5-chloro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]methylidene]hydroxylamine
CID 20993046
2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697199
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107
(NE)-N-[(5-chloro-2-phenylmethoxyphenyl)methylidene]hydroxylamine
CID 42200980
2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590729
[[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 168535185
(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine
CID 114849679
(NZ)-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5408745
N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 2287439
N-[[5-chloro-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 20984024
(NE)-N-[(5-chloro-2-hexoxyphenyl)methylidene]hydroxylamine
CID 42184829

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine (CID 89444710) is (NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine is O/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1F.
What is the InChIKey of (NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
The InChIKey is AUOIVZVDRTVTED-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H10ClF2NO2/c15-11-2-4-14(10(5-11)7-18-19)20-8-9-1-3-12(16)6-13(9)17/h1-7,19H,8H2/b18-7+.
What are the key properties of (NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine?
(NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine has a molecular weight of 297.69 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 89444710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).