3-[(4-chlorobenzoyl)amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide

C20H15ClN4O2 — CID 20846827

IUPAC3-[(4-chlorobenzoyl)amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccncc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H15ClN4O2/c21-17-6-4-15(5-7-17)19(26)24-18-3-1-2-16(12-18)20(27)25-23-13-14-8-10-22-11-9-14/h1-13H,(H,24,26)(H,25,27)/b23-13+
InChIKeyQFRBCSHYOSZRPV-YDZHTSKRSA-N
MW378.82 g/mol
LogP3.75
Rot. Bonds5

About 3-[(4-chlorobenzoyl)amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide

3-[(4-chlorobenzoyl)amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide (PubChem CID 20846827) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
PubChem CID20846827
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name3-[(4-chlorobenzoyl)amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccncc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H15ClN4O2/c21-17-6-4-15(5-7-17)19(26)24-18-3-1-2-16(12-18)20(27)25-23-13-14-8-10-22-11-9-14/h1-13H,(H,24,26)(H,25,27)/b23-13+
InChIKeyQFRBCSHYOSZRPV-YDZHTSKRSA-N
XLogP3.75
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.75
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 3-[(4-chlorobenzoyl)amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide (CID 20846827) is 3-[(4-chlorobenzoyl)amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccncc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
The InChIKey is QFRBCSHYOSZRPV-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-17-6-4-15(5-7-17)19(26)24-18-3-1-2-16(12-18)20(27)25-23-13-14-8-10-22-11-9-14/h1-13H,(H,24,26)(H,25,27)/b23-13+.
What are the key properties of 3-[(4-chlorobenzoyl)amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide?
3-[(4-chlorobenzoyl)amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide has a molecular weight of 378.82 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide is sourced from PubChem (CID 20846827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).