4-[(4-chlorobenzoyl)amino]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide

C20H16ClN3O3 — CID 46496148

IUPAC4-[(4-chlorobenzoyl)amino]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)o1
InChIInChI=1S/C20H16ClN3O3/c1-13-2-11-18(27-13)12-22-24-20(26)15-5-9-17(10-6-15)23-19(25)14-3-7-16(21)8-4-14/h2-12H,1H3,(H,23,25)(H,24,26)/b22-12+
InChIKeyRDCWIDXWLNZKHK-WSDLNYQXSA-N
MW381.82 g/mol
LogP4.26
Rot. Bonds5

About 4-[(4-chlorobenzoyl)amino]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide

4-[(4-chlorobenzoyl)amino]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide (PubChem CID 46496148) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 4-[(4-chlorobenzoyl)amino]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-chlorobenzoyl)amino]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
PubChem CID46496148
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name4-[(4-chlorobenzoyl)amino]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)o1
InChIInChI=1S/C20H16ClN3O3/c1-13-2-11-18(27-13)12-22-24-20(26)15-5-9-17(10-6-15)23-19(25)14-3-7-16(21)8-4-14/h2-12H,1H3,(H,23,25)(H,24,26)/b22-12+
InChIKeyRDCWIDXWLNZKHK-WSDLNYQXSA-N
XLogP4.26
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.26
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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-chlorobenzoyl)amino]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide (CID 46496148) is 4-[(4-chlorobenzoyl)amino]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-chlorobenzoyl)amino]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-chlorobenzoyl)amino]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)o1.
What is the InChIKey of 4-[(4-chlorobenzoyl)amino]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
The InChIKey is RDCWIDXWLNZKHK-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-13-2-11-18(27-13)12-22-24-20(26)15-5-9-17(10-6-15)23-19(25)14-3-7-16(21)8-4-14/h2-12H,1H3,(H,23,25)(H,24,26)/b22-12+.
What are the key properties of 4-[(4-chlorobenzoyl)amino]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide?
4-[(4-chlorobenzoyl)amino]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide has a molecular weight of 381.82 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorobenzoyl)amino]-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 46496148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).