N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide

C21H14Cl2FN3O2 — CID 86809567

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H14Cl2FN3O2/c22-16-6-1-15(19(23)11-16)12-25-27-21(29)14-4-9-18(10-5-14)26-20(28)13-2-7-17(24)8-3-13/h1-12H,(H,26,28)(H,27,29)/b25-12+
InChIKeyKLGBSIFYWPRTLD-BRJLIKDPSA-N
MW430.27 g/mol
LogP5.15
Rot. Bonds5

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide (PubChem CID 86809567) has the molecular formula C21H14Cl2FN3O2 and a molecular weight of 430.27 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
PubChem CID86809567
Molecular FormulaC21H14Cl2FN3O2
Molecular Weight430.27 g/mol
Exact Mass429.04
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H14Cl2FN3O2/c22-16-6-1-15(19(23)11-16)12-25-27-21(29)14-4-9-18(10-5-14)26-20(28)13-2-7-17(24)8-3-13/h1-12H,(H,26,28)(H,27,29)/b25-12+
InChIKeyKLGBSIFYWPRTLD-BRJLIKDPSA-N
XLogP5.15
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.27
LogP ≤ 55.15
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

4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836336
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'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 6084385
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-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-(4-carbamoylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 19660758
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334458
4-tert-butyl-N-[4-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3365256
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide (CID 86809567) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide is O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide?
The InChIKey is KLGBSIFYWPRTLD-BRJLIKDPSA-N. The full InChI is InChI=1S/C21H14Cl2FN3O2/c22-16-6-1-15(19(23)11-16)12-25-27-21(29)14-4-9-18(10-5-14)26-20(28)13-2-7-17(24)8-3-13/h1-12H,(H,26,28)(H,27,29)/b25-12+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide has a molecular weight of 430.27 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide is sourced from PubChem (CID 86809567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).