N'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide

C32H26N4O3 — CID 3917586

IUPACN'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide
SMILESCn1c(-c2ccccc2)c(C2c3ccccc3C(=O)N2CC(=O)NNC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C32H26N4O3/c1-35-26-19-11-10-18-25(26)28(29(35)21-12-4-2-5-13-21)30-23-16-8-9-17-24(23)32(39)36(30)20-27(37)33-34-31(38)22-14-6-3-7-15-22/h2-19,30H,20H2,1H3,(H,33,37)(H,34,38)
InChIKeyKAHNRVAZVYBFBC-UHFFFAOYSA-N
MW514.59 g/mol
LogP4.85
Rot. Bonds5

About N'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide

N'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide (PubChem CID 3917586) has the molecular formula C32H26N4O3 and a molecular weight of 514.59 g/mol. Its IUPAC name is N'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide
PubChem CID3917586
Molecular FormulaC32H26N4O3
Molecular Weight514.59 g/mol
Exact Mass514.20
IUPAC NameN'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide
SMILESCn1c(-c2ccccc2)c(C2c3ccccc3C(=O)N2CC(=O)NNC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C32H26N4O3/c1-35-26-19-11-10-18-25(26)28(29(35)21-12-4-2-5-13-21)30-23-16-8-9-17-24(23)32(39)36(30)20-27(37)33-34-31(38)22-14-6-3-7-15-22/h2-19,30H,20H2,1H3,(H,33,37)(H,34,38)
InChIKeyKAHNRVAZVYBFBC-UHFFFAOYSA-N
XLogP4.85
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.59
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide (CID 3917586) is N'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide is Cn1c(-c2ccccc2)c(C2c3ccccc3C(=O)N2CC(=O)NNC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of N'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide?
The InChIKey is KAHNRVAZVYBFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O3/c1-35-26-19-11-10-18-25(26)28(29(35)21-12-4-2-5-13-21)30-23-16-8-9-17-24(23)32(39)36(30)20-27(37)33-34-31(38)22-14-6-3-7-15-22/h2-19,30H,20H2,1H3,(H,33,37)(H,34,38).
What are the key properties of N'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide?
N'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide has a molecular weight of 514.59 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(1-methyl-2-phenylindol-3-yl)-3-oxo-1H-isoindol-2-yl]acetyl]benzohydrazide is sourced from PubChem (CID 3917586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).