N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine

C17H17ClFNO3 — CID 4850797

IUPACN-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine
SMILESCCOc1ccc(C=NOCc2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C17H17ClFNO3/c1-3-22-16-7-4-12(8-17(16)21-2)10-20-23-11-13-5-6-14(19)9-15(13)18/h4-10H,3,11H2,1-2H3
InChIKeyPUKYWZZSFGKBGB-UHFFFAOYSA-N
MW337.78 g/mol
LogP4.44
Rot. Bonds7

About N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine

N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine (PubChem CID 4850797) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine
PubChem CID4850797
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC NameN-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine
SMILESCCOc1ccc(C=NOCc2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C17H17ClFNO3/c1-3-22-16-7-4-12(8-17(16)21-2)10-20-23-11-13-5-6-14(19)9-15(13)18/h4-10H,3,11H2,1-2H3
InChIKeyPUKYWZZSFGKBGB-UHFFFAOYSA-N
XLogP4.44
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856065
(E)-N-[(3-bromo-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine
CID 60523490
(E)-3-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl chloride
CID 91685230
1-(4-ethoxy-3-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]methanimine
CID 76854403
N'-[(E)-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 19660161
4-[[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2444807
[[3-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 168532771
(Z)-1-(4-ethoxy-3-methoxyphenyl)-N-[2-(4-ethoxyphenoxy)ethoxy]methanimine
CID 6219023
(Z)-N-[(2-fluorophenyl)methoxy]-1-(3-methoxy-4-phenylmethoxyphenyl)methanimine
CID 7669404
[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 78678912
N'-[(E)-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(2-chlorophenyl)oxamide
CID 19660186
(NZ)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydroxylamine
CID 5443374

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine (CID 4850797) is N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine is CCOc1ccc(C=NOCc2ccc(F)cc2Cl)cc1OC.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine?
The InChIKey is PUKYWZZSFGKBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-3-22-16-7-4-12(8-17(16)21-2)10-20-23-11-13-5-6-14(19)9-15(13)18/h4-10H,3,11H2,1-2H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine?
N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine has a molecular weight of 337.78 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methoxy]-1-(4-ethoxy-3-methoxyphenyl)methanimine is sourced from PubChem (CID 4850797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).