N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine

C25H18Cl3NO — CID 126223343

IUPACN-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine
SMILESCc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1Cl
InChIInChI=1S/C25H18Cl3NO/c1-16-6-10-20(13-23(16)27)29-14-22-21-5-3-2-4-17(21)8-11-25(22)30-15-18-7-9-19(26)12-24(18)28/h2-14H,15H2,1H3/b29-14+
InChIKeySNAPAEKDMIRWKI-IPPBACCNSA-N
MW454.78 g/mol
LogP8.44
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine

N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine (PubChem CID 126223343) has the molecular formula C25H18Cl3NO and a molecular weight of 454.78 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine
PubChem CID126223343
Molecular FormulaC25H18Cl3NO
Molecular Weight454.78 g/mol
Exact Mass453.05
IUPAC NameN-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine
SMILESCc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1Cl
InChIInChI=1S/C25H18Cl3NO/c1-16-6-10-20(13-23(16)27)29-14-22-21-5-3-2-4-17(21)8-11-25(22)30-15-18-7-9-19(26)12-24(18)28/h2-14H,15H2,1H3/b29-14+
InChIKeySNAPAEKDMIRWKI-IPPBACCNSA-N
XLogP8.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.78
LogP ≤ 58.44
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

N-(3-chloro-4-methylphenyl)-1-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126210028
N-(3,4-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methanimine
CID 126218669
N-(3-chloro-4-methylphenyl)-2-[1-[(3-chloro-4-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetamide
CID 126214851
1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126225144
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methanimine
CID 126215977
2-[1-[(5-chloro-2-methylphenyl)iminomethyl]naphthalen-2-yl]oxyacetic acid
CID 126209756
[1-[[4-[4-[[2-(2,4-dichlorobenzoyl)oxynaphthalen-1-yl]methylideneamino]-2-methylphenyl]-3-methylphenyl]iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 171980369
N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dinitrophenoxy)naphthalen-1-yl]methanimine
CID 126225989
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126218660
1-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]-N-phenylmethanimine
CID 126215170
N-(3-chloro-4-methylphenyl)-2-[1-(phenyliminomethyl)naphthalen-2-yl]oxyacetamide
CID 126215966
N-(3-chloro-4-methylphenyl)-2-[1-[(4-ethylphenyl)iminomethyl]naphthalen-2-yl]oxyacetamide
CID 126217069

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine (CID 126223343) is N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine is Cc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine?
The InChIKey is SNAPAEKDMIRWKI-IPPBACCNSA-N. The full InChI is InChI=1S/C25H18Cl3NO/c1-16-6-10-20(13-23(16)27)29-14-22-21-5-3-2-4-17(21)8-11-25(22)30-15-18-7-9-19(26)12-24(18)28/h2-14H,15H2,1H3/b29-14+.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine?
N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine has a molecular weight of 454.78 g/mol, XLogP of 8.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methanimine is sourced from PubChem (CID 126223343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).