N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide

C27H24N4O3 — CID 3464828

IUPACN'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide
SMILESCCC(=O)NNC(=O)CN1C(=O)c2ccccc2C1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C27H24N4O3/c1-2-22(32)29-30-23(33)16-31-26(18-12-6-7-13-19(18)27(31)34)24-20-14-8-9-15-21(20)28-25(24)17-10-4-3-5-11-17/h3-15,26,28H,2,16H2,1H3,(H,29,32)(H,30,33)
InChIKeyVGBUXUWMNMXPJD-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.94
Rot. Bonds5

About N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide

N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide (PubChem CID 3464828) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide.

Molecular Properties

Compound NameN'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide
PubChem CID3464828
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC NameN'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide
SMILESCCC(=O)NNC(=O)CN1C(=O)c2ccccc2C1c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C27H24N4O3/c1-2-22(32)29-30-23(33)16-31-26(18-12-6-7-13-19(18)27(31)34)24-20-14-8-9-15-21(20)28-25(24)17-10-4-3-5-11-17/h3-15,26,28H,2,16H2,1H3,(H,29,32)(H,30,33)
InChIKeyVGBUXUWMNMXPJD-UHFFFAOYSA-N
XLogP3.94
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide
CID 3975387
N-(4-methylphenyl)-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide
CID 45133696
2-[[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]amino]acetamide
CID 41002856
N-(4-fluorophenyl)-2-[(1S)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide
CID 41285083
N-[2-(dimethylamino)ethyl]-2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetamide;hydrochloride
CID 163326817
2-[[2-[(1S)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]acetyl]amino]acetamide
CID 40975955
2-[(1R)-1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]acetate
CID 7357803
N-benzyl-2-[(1S)-1-[2-(3-methoxyphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]acetamide
CID 40932184
N'-(4-bromophenyl)sulfonyl-2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]acetohydrazide
CID 3880581
(3S)-2-[(4-fluorophenyl)methyl]-3-(2-phenyl-1H-indol-3-yl)-3H-isoindol-1-one
CID 41031655
(3R)-3-[2-(4-methylphenyl)-1H-indol-3-yl]-2-propyl-3H-isoindol-1-one
CID 41066019
1-[2-[(1R)-3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]piperidine-4-carboxamide
CID 41002858

Frequently Asked Questions

What is the IUPAC name of N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide?
The IUPAC name of N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide (CID 3464828) is N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide.
What is the SMILES notation for N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide?
The canonical SMILES for N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide is CCC(=O)NNC(=O)CN1C(=O)c2ccccc2C1c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide?
The InChIKey is VGBUXUWMNMXPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-2-22(32)29-30-23(33)16-31-26(18-12-6-7-13-19(18)27(31)34)24-20-14-8-9-15-21(20)28-25(24)17-10-4-3-5-11-17/h3-15,26,28H,2,16H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide?
N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide has a molecular weight of 452.51 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[3-oxo-1-(2-phenyl-1H-indol-3-yl)-1H-isoindol-2-yl]acetyl]propanehydrazide is sourced from PubChem (CID 3464828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).