(NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine

C16H15ClFNO2 — CID 102856118

IUPAC(NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccc(OCc2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H15ClFNO2/c1-2-15(19-20)11-6-8-13(9-7-11)21-10-12-4-3-5-14(17)16(12)18/h3-9,20H,2,10H2,1H3/b19-15-
InChIKeyNUNHKPLXHOTEOS-CYVLTUHYSA-N
MW307.75 g/mol
LogP4.65
Rot. Bonds5

About (NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine

(NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine (PubChem CID 102856118) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is (NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
PubChem CID102856118
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name(NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
SMILESCC/C(=N/O)c1ccc(OCc2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H15ClFNO2/c1-2-15(19-20)11-6-8-13(9-7-11)21-10-12-4-3-5-14(17)16(12)18/h3-9,20H,2,10H2,1H3/b19-15-
InChIKeyNUNHKPLXHOTEOS-CYVLTUHYSA-N
XLogP4.65
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.65
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-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999636
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-1-one
CID 102855973
2-[[4-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]methyl]benzonitrile
CID 43185658
(NE)-N-[1-[4-[(2-nitrophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 43822637
4-[(3-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 102856104
N-[1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999556
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 102855814
(NE)-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 24698943
2-chloro-5-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 106500788
7-[(3-chloro-2-fluorophenyl)methoxy]naphthalen-2-ol
CID 102856423
3-[[4-[(E)-C-ethyl-N-hydroxycarbonimidoyl]phenoxy]methyl]benzonitrile
CID 43185656
4-[(3-chloro-2-fluorophenyl)methoxy]-2-methylbenzenesulfonyl chloride
CID 102855855

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine (CID 102856118) is (NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine is CC/C(=N/O)c1ccc(OCc2cccc(Cl)c2F)cc1.
What is the InChIKey of (NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine?
The InChIKey is NUNHKPLXHOTEOS-CYVLTUHYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-2-15(19-20)11-6-8-13(9-7-11)21-10-12-4-3-5-14(17)16(12)18/h3-9,20H,2,10H2,1H3/b19-15-.
What are the key properties of (NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine?
(NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine has a molecular weight of 307.75 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine is sourced from PubChem (CID 102856118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).