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

C24H19N3O2 — CID 91411221

IUPACN-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide
SMILESCn1ccc2ccc(-n3cc4ccc(NC(=O)c5ccccc5)cc4c3O)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/h2-15,29H,1H3,(H,25,28)
InChIKeyWFXWBQGSYDPMKP-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.08
Rot. Bonds3

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

N-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide (PubChem CID 91411221) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide
PubChem CID91411221
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC NameN-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide
SMILESCn1ccc2ccc(-n3cc4ccc(NC(=O)c5ccccc5)cc4c3O)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/h2-15,29H,1H3,(H,25,28)
InChIKeyWFXWBQGSYDPMKP-UHFFFAOYSA-N
XLogP5.08
TPSA59.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylindol-6-yl)-3-oxo-1H-isoindol-5-yl]benzamide
CID 59543297
2-(1-methylindol-5-yl)isoindol-1-ol
CID 91339272
5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol
CID 91519522
N-(1-methylindol-6-yl)-2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carboxamide
CID 71866929
2-(1-methylindol-5-yl)-6-nitroisoindol-1-ol
CID 91609054
4-tert-butyl-N-(1-methylindol-5-yl)benzamide
CID 70990201
N-(1-methylindol-6-yl)-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75490589
N-(3-chloro-4-methoxyphenyl)-1-methylindole-6-carboxamide
CID 112521520
4-(5-benzamidoindol-1-yl)-N-methylpyridine-2-carboxamide
CID 162675882
5,6-dimethoxy-2-(1-methylindol-5-yl)isoindol-1-ol
CID 90702021
3-methoxy-N-(1-methylindol-5-yl)benzamide
CID 110867789
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-(1-methylindol-6-yl)oxamide
CID 111798539

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide?
The IUPAC name of N-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide (CID 91411221) is N-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide.
What is the SMILES notation for N-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide?
The canonical SMILES for N-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide is Cn1ccc2ccc(-n3cc4ccc(NC(=O)c5ccccc5)cc4c3O)cc21.
What is the InChIKey of N-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide?
The InChIKey is WFXWBQGSYDPMKP-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/h2-15,29H,1H3,(H,25,28).
What are the key properties of N-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide?
N-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide has a molecular weight of 381.44 g/mol, XLogP of 5.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-2-(1-methylindol-6-yl)isoindol-5-yl]benzamide is sourced from PubChem (CID 91411221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).