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

C16H15ClFNO2 — CID 103046785

IUPAC(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc(C)cc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C16H15ClFNO2/c1-10-3-5-14(11(2)19-20)16(7-10)21-9-12-8-13(17)4-6-15(12)18/h3-8,20H,9H2,1-2H3/b19-11-
InChIKeyVYLNSQUULLLOTN-ODLFYWEKSA-N
MW307.75 g/mol
LogP4.56
Rot. Bonds4

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

(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine (PubChem CID 103046785) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is (NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
PubChem CID103046785
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc(C)cc1OCc1cc(Cl)ccc1F
InChIInChI=1S/C16H15ClFNO2/c1-10-3-5-14(11(2)19-20)16(7-10)21-9-12-8-13(17)4-6-15(12)18/h3-8,20H,9H2,1-2H3/b19-11-
InChIKeyVYLNSQUULLLOTN-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-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 103046778
(NZ)-N-[1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 103038202
(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
CID 114849667
(NZ)-N-[1-[2-[(4-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 114346121
(NZ)-N-[1-[2-[(2,6-difluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 114930383
N-[1-[2-[(4-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine
CID 77003503
(NZ)-N-[1-[2-[(2-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]ethylidene]hydroxylamine
CID 115982997
(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 103046969
1-[2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methylphenoxy]-2-methylpropan-2-ol
CID 55245338
(NZ)-N-[1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine
CID 106863983
(NE)-N-[1-[2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 43106090
(NZ)-N-[1-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethylidene]hydroxylamine
CID 114849679

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine (CID 103046785) is (NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine is C/C(=N/O)c1ccc(C)cc1OCc1cc(Cl)ccc1F.
What is the InChIKey of (NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine?
The InChIKey is VYLNSQUULLLOTN-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-10-3-5-14(11(2)19-20)16(7-10)21-9-12-8-13(17)4-6-15(12)18/h3-8,20H,9H2,1-2H3/b19-11-.
What are the key properties of (NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine?
(NZ)-N-[1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-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-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethylidene]hydroxylamine is sourced from PubChem (CID 103046785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).