N-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide

C24H19N3O2 — CID 59543297

IUPACN-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide
SMILESCn1ccc2ccc(N3Cc4ccc(NC(=O)c5ccccc5)cc4C3=O)cc21
InChIInChI=1S/C24H19N3O2/c1-26-12-11-16-8-10-20(14-22(16)26)27-15-18-7-9-19(13-21(18)24(27)29)25-23(28)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,25,28)
InChIKeyVFDMWVUJEODDRJ-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.59
Rot. Bonds3

About N-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide

N-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide (PubChem CID 59543297) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide
PubChem CID59543297
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC NameN-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide
SMILESCn1ccc2ccc(N3Cc4ccc(NC(=O)c5ccccc5)cc4C3=O)cc21
InChIInChI=1S/C24H19N3O2/c1-26-12-11-16-8-10-20(14-22(16)26)27-15-18-7-9-19(13-21(18)24(27)29)25-23(28)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,25,28)
InChIKeyVFDMWVUJEODDRJ-UHFFFAOYSA-N
XLogP4.59
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide
CID 91411221
N-[2-(1-methylindol-5-yl)-1-oxo-3H-isoindol-5-yl]acetamide
CID 59543319
2-(1-methylindol-6-yl)-6-pyrimidin-5-yl-3H-isoindol-1-one
CID 59543234
3-(5-benzamido-3-oxo-1H-isoindol-2-yl)propanoic acid
CID 131866548
2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543218
4-chloro-2-(1-methylindol-6-yl)-3H-isoindol-1-one
CID 59543316
6-amino-2-(1-methylindol-5-yl)-3H-isoindol-1-one
CID 59543176
N-[2-bromo-4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 91678034
N-(3-oxo-2-quinolin-6-yl-1H-isoindol-5-yl)propanamide
CID 66562703
6-bromo-2-(1-methylindol-6-yl)-3H-isoindol-1-one;bis(2-(1-methylindol-6-yl)-6-pyridin-3-yl-3H-isoindol-1-one);pyridin-3-ylboronic acid
CID 160650098
3,4-dichloro-N-[4-(3-oxo-1H-isoindol-2-yl)phenyl]benzamide
CID 54858216
N-(1-methylindol-6-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide
CID 71866929

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide?
The IUPAC name of N-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide (CID 59543297) is N-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide.
What is the SMILES notation for N-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide?
The canonical SMILES for N-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide is Cn1ccc2ccc(N3Cc4ccc(NC(=O)c5ccccc5)cc4C3=O)cc21.
What is the InChIKey of N-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide?
The InChIKey is VFDMWVUJEODDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-26-12-11-16-8-10-20(14-22(16)26)27-15-18-7-9-19(13-21(18)24(27)29)25-23(28)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,25,28).
What are the key properties of N-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide?
N-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide has a molecular weight of 381.44 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide is sourced from PubChem (CID 59543297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).