4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide

C19H16N4O2 — CID 135696885

IUPAC4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H16N4O2/c24-18(14-5-2-1-3-6-14)22-16-10-8-15(9-11-16)19(25)23-21-13-17-7-4-12-20-17/h1-13,20H,(H,22,24)(H,23,25)/b21-13+
InChIKeyUKEPFBAZBAOVDE-FYJGNVAPSA-N
MW332.36 g/mol
LogP3.03
Rot. Bonds5

About 4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide

4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide (PubChem CID 135696885) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
PubChem CID135696885
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H16N4O2/c24-18(14-5-2-1-3-6-14)22-16-10-8-15(9-11-16)19(25)23-21-13-17-7-4-12-20-17/h1-13,20H,(H,22,24)(H,23,25)/b21-13+
InChIKeyUKEPFBAZBAOVDE-FYJGNVAPSA-N
XLogP3.03
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.03
H-Bond Donors ≤ 53
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

4-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135521573
N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-4-carboxamide
CID 135444093
4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 136742500
3-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135645943
N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
CID 24789540
3-methyl-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135801543
3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135403168
4-benzamido-N-[(2-methylphenyl)methylideneamino]benzamide
CID 3285484
6-methyl-N-(1H-pyrrol-2-ylmethylideneamino)pyridine-3-carboxamide
CID 935068
2-chloro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 904379
3-chloro-4-methyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137261799
3-nitro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135425021

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide (CID 135696885) is 4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccc[nH]1)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The InChIKey is UKEPFBAZBAOVDE-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H16N4O2/c24-18(14-5-2-1-3-6-14)22-16-10-8-15(9-11-16)19(25)23-21-13-17-7-4-12-20-17/h1-13,20H,(H,22,24)(H,23,25)/b21-13+.
What are the key properties of 4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide?
4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide has a molecular weight of 332.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 135696885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).