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

C23H20N4O — CID 24818537

IUPAC4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)NN=Cc2cn(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)
InChIKeyRKXBLHDDKZFMSG-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.04
Rot. Bonds5

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

4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide (PubChem CID 24818537) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide
PubChem CID24818537
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)NN=Cc2cn(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)
InChIKeyRKXBLHDDKZFMSG-UHFFFAOYSA-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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Related Compounds

4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 24818544
N-[(1-benzylindol-3-yl)methylideneamino]-4-butoxybenzamide
CID 3483141
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,1,3-benzoxadiazole-5-carboxamide
CID 45108977
4-chloro-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 21379735
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide
CID 5414915
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide
CID 3999829
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 88863813
4-acetamido-N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 4535477
3-methyl-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 126274795
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2,2-diphenylacetamide
CID 23476926
4-(2,5-dimethylpyrrol-1-yl)-N-[(Z)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 126008005

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide (CID 24818537) is 4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide is Nc1ccc(C(=O)NN=Cc2cn(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide?
The InChIKey is RKXBLHDDKZFMSG-UHFFFAOYSA-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).
What are the key properties of 4-amino-N-[(1-benzylindol-3-yl)methylideneamino]benzamide?
4-amino-N-[(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-[(1-benzylindol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 24818537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).