N-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine

C14H10Cl3NO — CID 4779300

IUPACN-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine
SMILESCOc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1Cl
InChIInChI=1S/C14H10Cl3NO/c1-19-14-9(6-10(15)7-12(14)17)8-18-13-5-3-2-4-11(13)16/h2-8H,1H3/b18-8+
InChIKeyOQIRNTPVPPYFBR-QGMBQPNBSA-N
MW314.60 g/mol
LogP5.41
Rot. Bonds3

About N-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine

N-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine (PubChem CID 4779300) has the molecular formula C14H10Cl3NO and a molecular weight of 314.60 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine
PubChem CID4779300
Molecular FormulaC14H10Cl3NO
Molecular Weight314.60 g/mol
Exact Mass312.98
IUPAC NameN-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine
SMILESCOc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1Cl
InChIInChI=1S/C14H10Cl3NO/c1-19-14-9(6-10(15)7-12(14)17)8-18-13-5-3-2-4-11(13)16/h2-8H,1H3/b18-8+
InChIKeyOQIRNTPVPPYFBR-QGMBQPNBSA-N
XLogP5.41
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.60
LogP ≤ 55.41
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-dichloro-2-methoxyphenyl)-N-(2-methylphenyl)methanimine
CID 4779316
1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine
CID 126386568
(E)-1-(3,5-dichloro-2-methoxyphenyl)-N-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)methanimine
CID 6894640
1,5-dichloro-3-[2-(2-ethoxyphenyl)ethenyl]-2-methoxybenzene
CID 3541272
2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol
CID 757958
[2,4-dichloro-6-[(4-chloro-2,5-dimethoxyphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 2742135
2,4-dichloro-6-[(2,5-dimethoxyphenyl)iminomethyl]phenol
CID 710294
N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1104437
4-chloro-2,6-bis[(2-sulfanylphenyl)iminomethyl]phenol
CID 135603470
2-bromo-N-[4-[[(3,5-dichloro-2-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3473423
1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)methanimine
CID 3899999
N-(5-chloro-2-methylphenyl)-1-(2-chlorophenyl)methanimine
CID 4191286

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine?
The IUPAC name of N-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine (CID 4779300) is N-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine.
What is the SMILES notation for N-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine?
The canonical SMILES for N-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine is COc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine?
The InChIKey is OQIRNTPVPPYFBR-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H10Cl3NO/c1-19-14-9(6-10(15)7-12(14)17)8-18-13-5-3-2-4-11(13)16/h2-8H,1H3/b18-8+.
What are the key properties of N-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine?
N-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine has a molecular weight of 314.60 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(3,5-dichloro-2-methoxyphenyl)methanimine is sourced from PubChem (CID 4779300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).