[2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate

C21H15Cl2NO2 — CID 4152133

IUPAC[2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate
SMILESCc1cccc(/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H15Cl2NO2/c1-14-5-4-7-17(11-14)24-13-15-6-2-3-8-20(15)26-21(25)18-10-9-16(22)12-19(18)23/h2-13H,1H3/b24-13+
InChIKeyHOXVBDNBQGLBDF-ZMOGYAJESA-N
MW384.26 g/mol
LogP6.27
Rot. Bonds4

About [2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate

[2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate (PubChem CID 4152133) has the molecular formula C21H15Cl2NO2 and a molecular weight of 384.26 g/mol. Its IUPAC name is [2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate
PubChem CID4152133
Molecular FormulaC21H15Cl2NO2
Molecular Weight384.26 g/mol
Exact Mass383.05
IUPAC Name[2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate
SMILESCc1cccc(/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H15Cl2NO2/c1-14-5-4-7-17(11-14)24-13-15-6-2-3-8-20(15)26-21(25)18-10-9-16(22)12-19(18)23/h2-13H,1H3/b24-13+
InChIKeyHOXVBDNBQGLBDF-ZMOGYAJESA-N
XLogP6.27
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.26
LogP ≤ 56.27
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

[2-[[[3-[(3-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126233219
[2-[(E)-3-[2-[(E)-[[4-[(3-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenoxy]-3-oxoprop-1-enyl]phenyl] 2,4-dichlorobenzoate
CID 126021266
[3-(2,4-dichlorobenzoyl)oxy-4-[(4-iodophenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate
CID 3952520
[1-[[4-[4-[[2-(2,4-dichlorobenzoyl)oxynaphthalen-1-yl]methylideneamino]-2-methylphenyl]-3-methylphenyl]iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 171980369
[2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126402435
(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate
CID 837741
[2-[[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]iminomethyl]phenyl] 2,4-dichlorobenzoate
CID 126413822
tris[2-[(3-hydroxyphenyl)iminomethyl]phenyl] benzene-1,3,5-tricarboxylate
CID 171716142
2,4-dichloro-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110339606
[2-[[[3-[(4-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126232666
[3-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 51060284
[2-[(E)-[[4-[(3-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]-4-nitrophenyl] 2,4-dichlorobenzoate
CID 126232173

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate?
The IUPAC name of [2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate (CID 4152133) is [2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate?
The canonical SMILES for [2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate is Cc1cccc(/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of [2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate?
The InChIKey is HOXVBDNBQGLBDF-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H15Cl2NO2/c1-14-5-4-7-17(11-14)24-13-15-6-2-3-8-20(15)26-21(25)18-10-9-16(22)12-19(18)23/h2-13H,1H3/b24-13+.
What are the key properties of [2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate?
[2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate has a molecular weight of 384.26 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methylphenyl)iminomethyl]phenyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 4152133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).