1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine

C22H18Cl2FNO — CID 126217862

IUPAC1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1C
InChIInChI=1S/C22H18Cl2FNO/c1-14-7-8-18(9-15(14)2)26-12-16-10-19(23)22(20(24)11-16)27-13-17-5-3-4-6-21(17)25/h3-12H,13H2,1-2H3/b26-12+
InChIKeyNNDBBEUVMBBLTM-RPPGKUMJSA-N
MW402.30 g/mol
LogP7.08
Rot. Bonds5

About 1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine

1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine (PubChem CID 126217862) has the molecular formula C22H18Cl2FNO and a molecular weight of 402.30 g/mol. Its IUPAC name is 1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
PubChem CID126217862
Molecular FormulaC22H18Cl2FNO
Molecular Weight402.30 g/mol
Exact Mass401.07
IUPAC Name1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1C
InChIInChI=1S/C22H18Cl2FNO/c1-14-7-8-18(9-15(14)2)26-12-16-10-19(23)22(20(24)11-16)27-13-17-5-3-4-6-21(17)25/h3-12H,13H2,1-2H3/b26-12+
InChIKeyNNDBBEUVMBBLTM-RPPGKUMJSA-N
XLogP7.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.30
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-dibromo-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126214636
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126221945
N-(3-chloro-4-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126206500
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126218007
N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126218669
1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126226443
N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 3388817
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126206108
N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126219727
1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126224806
1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126214961
2-[2-chloro-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126386697

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
The IUPAC name of 1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine (CID 126217862) is 1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
The canonical SMILES for 1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine is Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1C.
What is the InChIKey of 1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
The InChIKey is NNDBBEUVMBBLTM-RPPGKUMJSA-N. The full InChI is InChI=1S/C22H18Cl2FNO/c1-14-7-8-18(9-15(14)2)26-12-16-10-19(23)22(20(24)11-16)27-13-17-5-3-4-6-21(17)25/h3-12H,13H2,1-2H3/b26-12+.
What are the key properties of 1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine has a molecular weight of 402.30 g/mol, XLogP of 7.08, 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-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine is sourced from PubChem (CID 126217862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).