2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide

C21H15Cl3N2O2 — CID 4027526

IUPAC2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide
SMILESCOc1ccc(/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1Cl
InChIInChI=1S/C21H15Cl3N2O2/c1-28-20-8-6-15(11-19(20)24)25-12-13-3-2-4-16(9-13)26-21(27)17-7-5-14(22)10-18(17)23/h2-12H,1H3,(H,26,27)/b25-12+
InChIKeyUDJHRQYDCKKPSP-BRJLIKDPSA-N
MW433.72 g/mol
LogP6.66
Rot. Bonds5

About 2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide

2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide (PubChem CID 4027526) has the molecular formula C21H15Cl3N2O2 and a molecular weight of 433.72 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide
PubChem CID4027526
Molecular FormulaC21H15Cl3N2O2
Molecular Weight433.72 g/mol
Exact Mass432.02
IUPAC Name2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide
SMILESCOc1ccc(/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1Cl
InChIInChI=1S/C21H15Cl3N2O2/c1-28-20-8-6-15(11-19(20)24)25-12-13-3-2-4-16(9-13)26-21(27)17-7-5-14(22)10-18(17)23/h2-12H,1H3,(H,26,27)/b25-12+
InChIKeyUDJHRQYDCKKPSP-BRJLIKDPSA-N
XLogP6.66
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.72
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide
CID 2419562
2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3849495
1-(3-bromophenyl)-N-(3-chloro-4-methoxyphenyl)methanimine
CID 21211700
N-[[3-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 23100463
[4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 126229300
[4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate
CID 126228069
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
2-bromo-4-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 103763233
[4-[[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 3642298
2-chloro-N-[3-[(E)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl]benzamide
CID 42991489
[2-methoxy-4-[[[3-[(4-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126228656
2,4-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154669

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide (CID 4027526) is 2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide is COc1ccc(/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide?
The InChIKey is UDJHRQYDCKKPSP-BRJLIKDPSA-N. The full InChI is InChI=1S/C21H15Cl3N2O2/c1-28-20-8-6-15(11-19(20)24)25-12-13-3-2-4-16(9-13)26-21(27)17-7-5-14(22)10-18(17)23/h2-12H,1H3,(H,26,27)/b25-12+.
What are the key properties of 2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide?
2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide has a molecular weight of 433.72 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide is sourced from PubChem (CID 4027526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).