4-amino-N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzamide

C23H20N4O — CID 25237282

IUPAC4-amino-N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C23H20N4O/c24-20-12-10-18(11-13-20)23(28)26-25-14-19-16-27(15-17-6-2-1-3-7-17)22-9-5-4-8-21(19)22/h1-14,16H,15,24H2,(H,26,28)/b25-14+
InChIKeyRKXBLHDDKZFMSG-AFUMVMLFSA-N
MW368.44 g/mol
LogP4.04
Rot. Bonds5

About 4-amino-N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzamide

4-amino-N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzamide (PubChem CID 25237282) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-amino-N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzamide
PubChem CID25237282
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name4-amino-N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C23H20N4O/c24-20-12-10-18(11-13-20)23(28)26-25-14-19-16-27(15-17-6-2-1-3-7-17)22-9-5-4-8-21(19)22/h1-14,16H,15,24H2,(H,26,28)/b25-14+
InChIKeyRKXBLHDDKZFMSG-AFUMVMLFSA-N
XLogP4.04
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-amino-N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzamide (CID 25237282) is 4-amino-N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzamide is Nc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-amino-N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzamide?
The InChIKey is RKXBLHDDKZFMSG-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H20N4O/c24-20-12-10-18(11-13-20)23(28)26-25-14-19-16-27(15-17-6-2-1-3-7-17)22-9-5-4-8-21(19)22/h1-14,16H,15,24H2,(H,26,28)/b25-14+.
What are the key properties of 4-amino-N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzamide?
4-amino-N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzamide has a molecular weight of 368.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-(1-benzylindol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 25237282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).