(NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine

C16H14FNO3 — CID 105371902

IUPAC(NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine
SMILESCc1ccc(F)cc1COc1ccc2c(c1)OC/C2=N\O
InChIInChI=1S/C16H14FNO3/c1-10-2-3-12(17)6-11(10)8-20-13-4-5-14-15(18-19)9-21-16(14)7-13/h2-7,19H,8-9H2,1H3/b18-15+
InChIKeyUKSDQUAGLVSYGP-OBGWFSINSA-N
MW287.29 g/mol
LogP3.28
Rot. Bonds3

About (NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine

(NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine (PubChem CID 105371902) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is (NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine
PubChem CID105371902
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name(NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine
SMILESCc1ccc(F)cc1COc1ccc2c(c1)OC/C2=N\O
InChIInChI=1S/C16H14FNO3/c1-10-2-3-12(17)6-11(10)8-20-13-4-5-14-15(18-19)9-21-16(14)7-13/h2-7,19H,8-9H2,1H3/b18-15+
InChIKeyUKSDQUAGLVSYGP-OBGWFSINSA-N
XLogP3.28
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[6-(2,2,2-trifluoroethoxy)-1-benzofuran-3-ylidene]hydroxylamine
CID 76985114
N-[6-(2-methylpropoxy)-1-benzofuran-3-ylidene]hydroxylamine
CID 76985192
N-[6-(2-phenoxyethoxy)-1-benzofuran-3-ylidene]hydroxylamine
CID 76985153
4-[(3-hydroxyimino-1-benzofuran-6-yl)oxymethyl]benzonitrile
CID 76985092
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline
CID 114252463
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline
CID 103201230
2-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 105371860
methyl (1E)-N-methoxy-2-[2-[[(3E)-3-methoxyimino-1-benzofuran-6-yl]oxymethyl]phenyl]ethanimidate
CID 11760424
1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371730
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
2-[(3-hydroxyimino-1-benzofuran-6-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 76985208
5-[(5-fluoro-2-methylphenyl)methoxy]pyridine-2-carboxylic acid
CID 105371812

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine (CID 105371902) is (NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine is Cc1ccc(F)cc1COc1ccc2c(c1)OC/C2=N\O.
What is the InChIKey of (NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine?
The InChIKey is UKSDQUAGLVSYGP-OBGWFSINSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-10-2-3-12(17)6-11(10)8-20-13-4-5-14-15(18-19)9-21-16(14)7-13/h2-7,19H,8-9H2,1H3/b18-15+.
What are the key properties of (NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine?
(NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine has a molecular weight of 287.29 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[6-[(5-fluoro-2-methylphenyl)methoxy]-1-benzofuran-3-ylidene]hydroxylamine is sourced from PubChem (CID 105371902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).