(NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine

C18H18FNO3 — CID 126081313

IUPAC(NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine
SMILESC=CCc1cc(/C=N\O)cc(OC)c1OCc1ccc(F)cc1
InChIInChI=1S/C18H18FNO3/c1-3-4-15-9-14(11-20-21)10-17(22-2)18(15)23-12-13-5-7-16(19)8-6-13/h3,5-11,21H,1,4,12H2,2H3/b20-11-
InChIKeyOXGMAUZWXAMMIK-JAIQZWGSSA-N
MW315.34 g/mol
LogP3.95
Rot. Bonds7

About (NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine

(NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine (PubChem CID 126081313) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is (NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine
PubChem CID126081313
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name(NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine
SMILESC=CCc1cc(/C=N\O)cc(OC)c1OCc1ccc(F)cc1
InChIInChI=1S/C18H18FNO3/c1-3-4-15-9-14(11-20-21)10-17(22-2)18(15)23-12-13-5-7-16(19)8-6-13/h3,5-11,21H,1,4,12H2,2H3/b20-11-
InChIKeyOXGMAUZWXAMMIK-JAIQZWGSSA-N
XLogP3.95
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine
CID 126079797
(NZ)-N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methylidene]hydroxylamine
CID 126075385
(NZ)-N-[[3-[(4-fluorophenyl)methoxy]-4-methoxyphenyl]methylidene]hydroxylamine
CID 91681635
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylideneamino]acetamide
CID 126222799
4-cyano-2-fluoro-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylideneamino]benzamide
CID 3953048
N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]acetamide
CID 126020310
(E)-2-(3-fluorophenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enenitrile
CID 126394589
(NZ)-N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 99968463
(NZ)-N-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-prop-2-enylphenyl]methylidene]hydroxylamine
CID 126080838
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline
CID 126120783
1-ethyl-3-[[3-methoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]methylideneamino]thiourea
CID 4043593
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylphenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126238706

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine (CID 126081313) is (NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine is C=CCc1cc(/C=N\O)cc(OC)c1OCc1ccc(F)cc1.
What is the InChIKey of (NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine?
The InChIKey is OXGMAUZWXAMMIK-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-3-4-15-9-14(11-20-21)10-17(22-2)18(15)23-12-13-5-7-16(19)8-6-13/h3,5-11,21H,1,4,12H2,2H3/b20-11-.
What are the key properties of (NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine?
(NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine has a molecular weight of 315.34 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 126081313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).