5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide

C16H8Cl4N2O2 — CID 57402719

IUPAC5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide
SMILESO=C(N/N=C/c1c(Cl)cccc1Cl)c1coc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H8Cl4N2O2/c17-8-4-9-11(7-24-15(9)14(20)5-8)16(23)22-21-6-10-12(18)2-1-3-13(10)19/h1-7H,(H,22,23)/b21-6+
InChIKeyDLHJQTHZDBBROT-AERZKKPOSA-N
MW402.06 g/mol
LogP5.81
Rot. Bonds3

About 5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide

5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide (PubChem CID 57402719) has the molecular formula C16H8Cl4N2O2 and a molecular weight of 402.06 g/mol. Its IUPAC name is 5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide
PubChem CID57402719
Molecular FormulaC16H8Cl4N2O2
Molecular Weight402.06 g/mol
Exact Mass399.93
IUPAC Name5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide
SMILESO=C(N/N=C/c1c(Cl)cccc1Cl)c1coc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C16H8Cl4N2O2/c17-8-4-9-11(7-24-15(9)14(20)5-8)16(23)22-21-6-10-12(18)2-1-3-13(10)19/h1-7H,(H,22,23)/b21-6+
InChIKeyDLHJQTHZDBBROT-AERZKKPOSA-N
XLogP5.81
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.06
LogP ≤ 55.81
H-Bond Donors ≤ 51
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

5-bromo-N-[(2,6-dichlorophenyl)methylideneamino]-2-hydroxybenzamide
CID 2246619
2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 680916
2-N,5-N-bis[(Z)-(2,6-dichlorophenyl)methylideneamino]furan-2,5-dicarboxamide
CID 6161327
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-methylbenzamide
CID 5418287
N-[(2-chloro-6-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137029868
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
CID 6898711
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956
N-[(2,6-dichlorophenyl)methylideneamino]-4-hydroxybenzamide
CID 773943
N-[(Z)-(6,8-dichloro-4-oxochromen-3-yl)methylideneamino]-5-methylthiophene-3-carboxamide
CID 5430597
3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide
CID 5418894
1-(3-chlorophenyl)-3-[(Z)-(2,6-dichlorophenyl)methylideneamino]urea
CID 110536315

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide?
The IUPAC name of 5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide (CID 57402719) is 5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide is O=C(N/N=C/c1c(Cl)cccc1Cl)c1coc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide?
The InChIKey is DLHJQTHZDBBROT-AERZKKPOSA-N. The full InChI is InChI=1S/C16H8Cl4N2O2/c17-8-4-9-11(7-24-15(9)14(20)5-8)16(23)22-21-6-10-12(18)2-1-3-13(10)19/h1-7H,(H,22,23)/b21-6+.
What are the key properties of 5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide?
5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide has a molecular weight of 402.06 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 57402719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).