4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide

C21H16Cl2N2O — CID 2419562

IUPAC4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide
SMILESCc1ccc(/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1Cl
InChIInChI=1S/C21H16Cl2N2O/c1-14-5-10-18(12-20(14)23)24-13-15-3-2-4-19(11-15)25-21(26)16-6-8-17(22)9-7-16/h2-13H,1H3,(H,25,26)/b24-13+
InChIKeyULXBORXBBIFOTN-ZMOGYAJESA-N
MW383.28 g/mol
LogP6.30
Rot. Bonds4

About 4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide

4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide (PubChem CID 2419562) has the molecular formula C21H16Cl2N2O and a molecular weight of 383.28 g/mol. Its IUPAC name is 4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide
PubChem CID2419562
Molecular FormulaC21H16Cl2N2O
Molecular Weight383.28 g/mol
Exact Mass382.06
IUPAC Name4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide
SMILESCc1ccc(/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1Cl
InChIInChI=1S/C21H16Cl2N2O/c1-14-5-10-18(12-20(14)23)24-13-15-3-2-4-19(11-15)25-21(26)16-6-8-17(22)9-7-16/h2-13H,1H3,(H,25,26)/b24-13+
InChIKeyULXBORXBBIFOTN-ZMOGYAJESA-N
XLogP6.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.28
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[3-[(3-chloro-4-methoxyphenyl)iminomethyl]phenyl]benzamide
CID 4027526
N-[4-[(3-chlorophenyl)methylideneamino]phenyl]benzamide
CID 56695198
4-chloro-N-[3-[(E)-(3-piperidin-1-ylpropanoylhydrazinylidene)methyl]phenyl]benzamide
CID 18272424
N-[(E)-[3-[(4-chlorobenzoyl)amino]phenyl]methylideneamino]-4-ethoxybenzamide
CID 6906990
4-chloro-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
CID 67712313
4-chloro-N-[3-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]phenyl]benzamide
CID 135794880
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
4-chloro-N-[3-[(E)-[(4-sulfamoylphenyl)hydrazinylidene]methyl]phenyl]benzamide
CID 18267434
3-chloro-4-fluoro-N-(3-formylphenyl)benzamide
CID 106912747
4-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 587314
N-(3-formylphenyl)-4-methylbenzamide
CID 2339361
N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide (CID 2419562) is 4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide is Cc1ccc(/N=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1Cl.
What is the InChIKey of 4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide?
The InChIKey is ULXBORXBBIFOTN-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H16Cl2N2O/c1-14-5-10-18(12-20(14)23)24-13-15-3-2-4-19(11-15)25-21(26)16-6-8-17(22)9-7-16/h2-13H,1H3,(H,25,26)/b24-13+.
What are the key properties of 4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide?
4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide has a molecular weight of 383.28 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(3-chloro-4-methylphenyl)iminomethyl]phenyl]benzamide is sourced from PubChem (CID 2419562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).