(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine

C15H12ClF2NO2 — CID 114849679

IUPAC(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cc(F)ccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C15H12ClF2NO2/c1-9(19-20)13-7-12(17)4-5-15(13)21-8-10-2-3-11(16)6-14(10)18/h2-7,20H,8H2,1H3/b19-9-
InChIKeyWRGCQZHCIVBLLJ-OCKHKDLRSA-N
MW311.72 g/mol
LogP4.40
Rot. Bonds4

About (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine

(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine (PubChem CID 114849679) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine
PubChem CID114849679
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC Name(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cc(F)ccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C15H12ClF2NO2/c1-9(19-20)13-7-12(17)4-5-15(13)21-8-10-2-3-11(16)6-14(10)18/h2-7,20H,8H2,1H3/b19-9-
InChIKeyWRGCQZHCIVBLLJ-OCKHKDLRSA-N
XLogP4.40
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 54.40
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

(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
CID 114849667
(NZ)-N-[1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine
CID 106863983
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 103046778
2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114849596
1-[2-[(5-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 103046643
(NE)-N-[[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 89444710
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 103046785
2-[(2-bromo-4-chlorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994227
(NZ)-N-[1-[2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
CID 115982997
(NE)-N-[1-(5-chloro-2-propoxyphenyl)ethylidene]hydroxylamine
CID 82081262
2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorobenzaldehyde
CID 107697199
(NZ)-N-[1-[2-[(2,3-dichlorophenyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine
CID 107306643

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine (CID 114849679) is (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine is C/C(=N/O)c1cc(F)ccc1OCc1ccc(Cl)cc1F.
What is the InChIKey of (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine?
The InChIKey is WRGCQZHCIVBLLJ-OCKHKDLRSA-N. The full InChI is InChI=1S/C15H12ClF2NO2/c1-9(19-20)13-7-12(17)4-5-15(13)21-8-10-2-3-11(16)6-14(10)18/h2-7,20H,8H2,1H3/b19-9-.
What are the key properties of (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine?
(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine has a molecular weight of 311.72 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 114849679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).