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

C16H15ClFNO2 — CID 114849667

IUPAC(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cc(C)ccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C16H15ClFNO2/c1-10-3-6-16(14(7-10)11(2)19-20)21-9-12-4-5-13(17)8-15(12)18/h3-8,20H,9H2,1-2H3/b19-11-
InChIKeyQODYCEGTBLZMAO-ODLFYWEKSA-N
MW307.75 g/mol
LogP4.56
Rot. Bonds4

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

(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine (PubChem CID 114849667) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
PubChem CID114849667
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1cc(C)ccc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C16H15ClFNO2/c1-10-3-6-16(14(7-10)11(2)19-20)21-9-12-4-5-13(17)8-15(12)18/h3-8,20H,9H2,1-2H3/b19-11-
InChIKeyQODYCEGTBLZMAO-ODLFYWEKSA-N
XLogP4.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.56
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-fluorophenyl]ethylidene]hydroxylamine
CID 114849679
(NZ)-N-[1-[2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
CID 115982997
(NZ)-N-[1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine
CID 106863983
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 103046785
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 103046778
3-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 114857333
2-[(4-chloro-2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114849596
(NZ)-N-[1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 103038202
(NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 114346121
1-[5-chloro-2-[(2-chloro-4-methylphenyl)methoxy]phenyl]ethanone
CID 106863598
(NE)-N-[1-[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 43504951
3-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propan-1-ol
CID 98511673

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine (CID 114849667) is (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine is C/C(=N/O)c1cc(C)ccc1OCc1ccc(Cl)cc1F.
What is the InChIKey of (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine?
The InChIKey is QODYCEGTBLZMAO-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-10-3-6-16(14(7-10)11(2)19-20)21-9-12-4-5-13(17)8-15(12)18/h3-8,20H,9H2,1-2H3/b19-11-.
What are the key properties of (NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine?
(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine has a molecular weight of 307.75 g/mol, XLogP of 4.56, 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-methylphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 114849667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).