3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide

C22H15Cl4N3O2 — CID 6177494

IUPAC3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H15Cl4N3O2/c1-12(28-29-21(30)14-4-9-18(24)20(26)10-14)13-2-6-16(7-3-13)27-22(31)17-8-5-15(23)11-19(17)25/h2-11H,1H3,(H,27,31)(H,29,30)/b28-12-
InChIKeyXQEOKOJURDDDHT-NVJOKUIPSA-N
MW495.19 g/mol
LogP6.71
Rot. Bonds5

About 3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide

3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide (PubChem CID 6177494) has the molecular formula C22H15Cl4N3O2 and a molecular weight of 495.19 g/mol. Its IUPAC name is 3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
PubChem CID6177494
Molecular FormulaC22H15Cl4N3O2
Molecular Weight495.19 g/mol
Exact Mass492.99
IUPAC Name3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H15Cl4N3O2/c1-12(28-29-21(30)14-4-9-18(24)20(26)10-14)13-2-6-16(7-3-13)27-22(31)17-8-5-15(23)11-19(17)25/h2-11H,1H3,(H,27,31)(H,29,30)/b28-12-
InChIKeyXQEOKOJURDDDHT-NVJOKUIPSA-N
XLogP6.71
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.19
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266458
N,N'-bis[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]butanediamide
CID 3404914
2,4-dichloro-N-[4-[N-[(2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4288814
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 27525119
2,4-dichloro-N-[4-[C-methyl-N-(3-methylbutanoylamino)carbonimidoyl]phenyl]benzamide
CID 4159256
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
3,4-dichloro-N-[1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 3531180
2,4-dichloro-N-[4-[N-[[2-(2,4-dichlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 3645170
2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266105
2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6085732
2,4-dichloro-N-[4-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]benzamide
CID 3688063

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide?
The IUPAC name of 3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide (CID 6177494) is 3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide?
The InChIKey is XQEOKOJURDDDHT-NVJOKUIPSA-N. The full InChI is InChI=1S/C22H15Cl4N3O2/c1-12(28-29-21(30)14-4-9-18(24)20(26)10-14)13-2-6-16(7-3-13)27-22(31)17-8-5-15(23)11-19(17)25/h2-11H,1H3,(H,27,31)(H,29,30)/b28-12-.
What are the key properties of 3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide?
3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide has a molecular weight of 495.19 g/mol, XLogP of 6.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 6177494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).