1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine

C26H19ClFNO2 — CID 126217330

IUPAC1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
SMILESFc1cccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)c1
InChIInChI=1S/C26H19ClFNO2/c27-25-16-19(9-14-26(25)30-18-20-5-4-6-21(28)15-20)17-29-22-10-12-24(13-11-22)31-23-7-2-1-3-8-23/h1-17H,18H2/b29-17+
InChIKeyHXYHOVQCPUNFAF-STBIYBPSSA-N
MW431.89 g/mol
LogP7.60
Rot. Bonds7

About 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine

1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine (PubChem CID 126217330) has the molecular formula C26H19ClFNO2 and a molecular weight of 431.89 g/mol. Its IUPAC name is 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
PubChem CID126217330
Molecular FormulaC26H19ClFNO2
Molecular Weight431.89 g/mol
Exact Mass431.11
IUPAC Name1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
SMILESFc1cccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)c1
InChIInChI=1S/C26H19ClFNO2/c27-25-16-19(9-14-26(25)30-18-20-5-4-6-21(28)15-20)17-29-22-10-12-24(13-11-22)31-23-7-2-1-3-8-23/h1-17H,18H2/b29-17+
InChIKeyHXYHOVQCPUNFAF-STBIYBPSSA-N
XLogP7.60
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.89
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126209247
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126222826
1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126214930
1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126218474
1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine
CID 126216496
1-[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126223016
1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210174
1-[1-[(3-fluorophenyl)methyl]indol-5-yl]-N-(4-phenoxyphenyl)methanimine
CID 126256315
1-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126222259
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126206998
1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210140
1-(4-fluorophenyl)-N-(4-phenoxyphenyl)methanimine
CID 932026

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine?
The IUPAC name of 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine (CID 126217330) is 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine?
The canonical SMILES for 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine is Fc1cccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine?
The InChIKey is HXYHOVQCPUNFAF-STBIYBPSSA-N. The full InChI is InChI=1S/C26H19ClFNO2/c27-25-16-19(9-14-26(25)30-18-20-5-4-6-21(28)15-20)17-29-22-10-12-24(13-11-22)31-23-7-2-1-3-8-23/h1-17H,18H2/b29-17+.
What are the key properties of 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine?
1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine has a molecular weight of 431.89 g/mol, XLogP of 7.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine is sourced from PubChem (CID 126217330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).