N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide

C24H20IN3O — CID 95395790

IUPACN-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide
SMILESCc1c(/C=N/NC(=O)c2cccc(I)c2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C24H20IN3O/c1-17-22(15-26-27-24(29)19-10-7-11-20(25)14-19)21-12-5-6-13-23(21)28(17)16-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,27,29)/b26-15+
InChIKeyYWFZWUDTYXKYFX-CVKSISIWSA-N
MW493.35 g/mol
LogP5.37
Rot. Bonds5

About N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide

N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide (PubChem CID 95395790) has the molecular formula C24H20IN3O and a molecular weight of 493.35 g/mol. Its IUPAC name is N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide
PubChem CID95395790
Molecular FormulaC24H20IN3O
Molecular Weight493.35 g/mol
Exact Mass493.07
IUPAC NameN-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide
SMILESCc1c(/C=N/NC(=O)c2cccc(I)c2)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C24H20IN3O/c1-17-22(15-26-27-24(29)19-10-7-11-20(25)14-19)21-12-5-6-13-23(21)28(17)16-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,27,29)/b26-15+
InChIKeyYWFZWUDTYXKYFX-CVKSISIWSA-N
XLogP5.37
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.35
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 4615384
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 46501991
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
CID 3382244
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 4299532
2-bromo-N-[(E)-[1-[(4-iodophenyl)methyl]-2-methylindol-3-yl]methylideneamino]benzamide
CID 17245541
4-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]benzamide
CID 126376160
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126258425
N-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 5029475
N-[(E)-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126044502
N-[(E)-3-[(2Z)-2-[(1-benzyl-2-methylindol-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 6080567
N-[(E)-3-[2-[(1-benzyl-2-methylindol-3-yl)methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 129437766

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide?
The IUPAC name of N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide (CID 95395790) is N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide.
What is the SMILES notation for N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide?
The canonical SMILES for N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide is Cc1c(/C=N/NC(=O)c2cccc(I)c2)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide?
The InChIKey is YWFZWUDTYXKYFX-CVKSISIWSA-N. The full InChI is InChI=1S/C24H20IN3O/c1-17-22(15-26-27-24(29)19-10-7-11-20(25)14-19)21-12-5-6-13-23(21)28(17)16-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,27,29)/b26-15+.
What are the key properties of N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide?
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide has a molecular weight of 493.35 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-3-iodobenzamide is sourced from PubChem (CID 95395790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).