N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide

C20H15Cl2N3O3 — CID 27525119

IUPACN-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H15Cl2N3O3/c1-12(24-25-20(27)18-3-2-10-28-18)13-4-7-15(8-5-13)23-19(26)16-9-6-14(21)11-17(16)22/h2-11H,1H3,(H,23,26)(H,25,27)/b24-12+
InChIKeyTZPYVHUHVUSCLO-WYMPLXKRSA-N
MW416.26 g/mol
LogP4.99
Rot. Bonds5

About N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide

N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide (PubChem CID 27525119) has the molecular formula C20H15Cl2N3O3 and a molecular weight of 416.26 g/mol. Its IUPAC name is N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
PubChem CID27525119
Molecular FormulaC20H15Cl2N3O3
Molecular Weight416.26 g/mol
Exact Mass415.05
IUPAC NameN-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H15Cl2N3O3/c1-12(24-25-20(27)18-3-2-10-28-18)13-4-7-15(8-5-13)23-19(26)16-9-6-14(21)11-17(16)22/h2-11H,1H3,(H,23,26)(H,25,27)/b24-12+
InChIKeyTZPYVHUHVUSCLO-WYMPLXKRSA-N
XLogP4.99
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6007896
2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266458
3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6177494
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-chloro-2-methylphenoxy)propanoylamino]phenyl]ethylideneamino]furan-2-carboxamide
CID 17373926
2,4-dichloro-N-[4-[C-methyl-N-(3-methylbutanoylamino)carbonimidoyl]phenyl]benzamide
CID 4159256
N-[(E)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 6949118
N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]furan-2-carboxamide
CID 840435
2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 5078107
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 N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide (CID 27525119) is N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide is C/C(=N\NC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide?
The InChIKey is TZPYVHUHVUSCLO-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H15Cl2N3O3/c1-12(24-25-20(27)18-3-2-10-28-18)13-4-7-15(8-5-13)23-19(26)16-9-6-14(21)11-17(16)22/h2-11H,1H3,(H,23,26)(H,25,27)/b24-12+.
What are the key properties of N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide?
N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide has a molecular weight of 416.26 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 27525119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).