N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide

C18H12Cl2N2O2 — CID 5333129

IUPACN-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1
InChIInChI=1S/C18H12Cl2N2O2/c19-13-6-8-16(20)15(10-13)17-9-7-14(24-17)11-21-22-18(23)12-4-2-1-3-5-12/h1-11H,(H,22,23)/b21-11+
InChIKeyMYKIHJVMFRBWTB-SRZZPIQSSA-N
MW359.21 g/mol
LogP5.02
Rot. Bonds4

About N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide

N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 5333129) has the molecular formula C18H12Cl2N2O2 and a molecular weight of 359.21 g/mol. Its IUPAC name is N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
PubChem CID5333129
Molecular FormulaC18H12Cl2N2O2
Molecular Weight359.21 g/mol
Exact Mass358.03
IUPAC NameN-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1
InChIInChI=1S/C18H12Cl2N2O2/c19-13-6-8-16(20)15(10-13)17-9-7-14(24-17)11-21-22-18(23)12-4-2-1-3-5-12/h1-11H,(H,22,23)/b21-11+
InChIKeyMYKIHJVMFRBWTB-SRZZPIQSSA-N
XLogP5.02
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.21
LogP ≤ 55.02
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide (CID 5333129) is N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide is O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1.
What is the InChIKey of N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is MYKIHJVMFRBWTB-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H12Cl2N2O2/c19-13-6-8-16(20)15(10-13)17-9-7-14(24-17)11-21-22-18(23)12-4-2-1-3-5-12/h1-11H,(H,22,23)/b21-11+.
What are the key properties of N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide?
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 359.21 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 5333129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).