4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide

C21H14Cl3N3O2 — CID 94836336

IUPAC4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H14Cl3N3O2/c22-16-6-1-13(2-7-16)20(28)26-18-9-4-14(5-10-18)21(29)27-25-12-15-3-8-17(23)11-19(15)24/h1-12H,(H,26,28)(H,27,29)/b25-12-
InChIKeyMZLIMMQXRGGCMY-ROTLSHHCSA-N
MW446.72 g/mol
LogP5.66
Rot. Bonds5

About 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide

4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide (PubChem CID 94836336) has the molecular formula C21H14Cl3N3O2 and a molecular weight of 446.72 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
PubChem CID94836336
Molecular FormulaC21H14Cl3N3O2
Molecular Weight446.72 g/mol
Exact Mass445.02
IUPAC Name4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H14Cl3N3O2/c22-16-6-1-13(2-7-16)20(28)26-18-9-4-14(5-10-18)21(29)27-25-12-15-3-8-17(23)11-19(15)24/h1-12H,(H,26,28)(H,27,29)/b25-12-
InChIKeyMZLIMMQXRGGCMY-ROTLSHHCSA-N
XLogP5.66
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.72
LogP ≤ 55.66
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

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809567
4-[(4-bromobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836337
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-[(2,4-dichlorophenyl)methylideneamino]-4-(propylcarbamoylamino)benzamide
CID 4256811
2,4-dichloro-N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 137173612
N-(4-carbamoylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 19660758
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 6084385
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334458
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490
4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3365256
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide (CID 94836336) is 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide?
The InChIKey is MZLIMMQXRGGCMY-ROTLSHHCSA-N. The full InChI is InChI=1S/C21H14Cl3N3O2/c22-16-6-1-13(2-7-16)20(28)26-18-9-4-14(5-10-18)21(29)27-25-12-15-3-8-17(23)11-19(15)24/h1-12H,(H,26,28)(H,27,29)/b25-12-.
What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide?
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide has a molecular weight of 446.72 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 94836336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).