1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine

C20H14Cl2FNO — CID 126214930

IUPAC1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine
SMILESFc1cccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)c1
InChIInChI=1S/C20H14Cl2FNO/c21-18-10-15(12-24-17-7-2-1-3-8-17)11-19(22)20(18)25-13-14-5-4-6-16(23)9-14/h1-12H,13H2/b24-12+
InChIKeyCSYGYFXNWMGLBQ-WYMPLXKRSA-N
MW374.24 g/mol
LogP6.46
Rot. Bonds5

About 1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine

1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine (PubChem CID 126214930) has the molecular formula C20H14Cl2FNO and a molecular weight of 374.24 g/mol. Its IUPAC name is 1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine
PubChem CID126214930
Molecular FormulaC20H14Cl2FNO
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine
SMILESFc1cccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)c1
InChIInChI=1S/C20H14Cl2FNO/c21-18-10-15(12-24-17-7-2-1-3-8-17)11-19(22)20(18)25-13-14-5-4-6-16(23)9-14/h1-12H,13H2/b24-12+
InChIKeyCSYGYFXNWMGLBQ-WYMPLXKRSA-N
XLogP6.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.24
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine 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-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126218474
(NE)-N-[[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91682760
1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126217330
1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126217786
1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126216961
[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 893858
1-[3-ethoxy-4-[(3-fluorophenyl)methoxy]-5-iodophenyl]-N-(4-phenoxyphenyl)methanimine
CID 126216496
N-[(E)-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126261968
1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210140
1-[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126223016
1-[[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethylthiourea
CID 5001541
1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126209246

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine?
The IUPAC name of 1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine (CID 126214930) is 1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine.
What is the SMILES notation for 1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine?
The canonical SMILES for 1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine is Fc1cccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)c1.
What is the InChIKey of 1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine?
The InChIKey is CSYGYFXNWMGLBQ-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H14Cl2FNO/c21-18-10-15(12-24-17-7-2-1-3-8-17)11-19(22)20(18)25-13-14-5-4-6-16(23)9-14/h1-12H,13H2/b24-12+.
What are the key properties of 1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine?
1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine has a molecular weight of 374.24 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-phenylmethanimine is sourced from PubChem (CID 126214930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).