[1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate

C24H14Cl3NO2 — CID 3950984

IUPAC[1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate
SMILESO=C(Oc1ccc2ccccc2c1/C=N/c1ccccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H14Cl3NO2/c25-16-10-11-18(21(27)13-16)24(29)30-23-12-9-15-5-1-2-6-17(15)19(23)14-28-22-8-4-3-7-20(22)26/h1-14H/b28-14+
InChIKeyRAHQLPXYKXZYCA-CCVNUDIWSA-N
MW454.74 g/mol
LogP7.77
Rot. Bonds4

About [1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate

[1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate (PubChem CID 3950984) has the molecular formula C24H14Cl3NO2 and a molecular weight of 454.74 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate
PubChem CID3950984
Molecular FormulaC24H14Cl3NO2
Molecular Weight454.74 g/mol
Exact Mass453.01
IUPAC Name[1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate
SMILESO=C(Oc1ccc2ccccc2c1/C=N/c1ccccc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H14Cl3NO2/c25-16-10-11-18(21(27)13-16)24(29)30-23-12-9-15-5-1-2-6-17(15)19(23)14-28-22-8-4-3-7-20(22)26/h1-14H/b28-14+
InChIKeyRAHQLPXYKXZYCA-CCVNUDIWSA-N
XLogP7.77
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6305314
[1-[[4-[4-[[2-(2,4-dichlorobenzoyl)oxynaphthalen-1-yl]methylideneamino]-2-methylphenyl]-3-methylphenyl]iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 171980369
[1-[(tetradecanoylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3833996
[1-[(Z)-(dodecanoylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 6241959
[1-[[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 5092147
[1-[[(2-methoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3739553
[1-[[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3743667
[1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 4987854
[1-[(Z)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 6060146
[1-[[[2-[(3,4-dichlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3760583
[1-[(cyclohexylcarbamothioylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3809207
[1-[[[2-(4-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 4200719

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate?
The IUPAC name of [1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate (CID 3950984) is [1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate.
What is the SMILES notation for [1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate?
The canonical SMILES for [1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate is O=C(Oc1ccc2ccccc2c1/C=N/c1ccccc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of [1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate?
The InChIKey is RAHQLPXYKXZYCA-CCVNUDIWSA-N. The full InChI is InChI=1S/C24H14Cl3NO2/c25-16-10-11-18(21(27)13-16)24(29)30-23-12-9-15-5-1-2-6-17(15)19(23)14-28-22-8-4-3-7-20(22)26/h1-14H/b28-14+.
What are the key properties of [1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate?
[1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate has a molecular weight of 454.74 g/mol, XLogP of 7.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate is sourced from PubChem (CID 3950984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).