2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide

C16H17N3O — CID 63572788

IUPAC2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide
SMILESNNC(=O)C(c1ccccc1)N1Cc2ccccc2C1
InChIInChI=1S/C16H17N3O/c17-18-16(20)15(12-6-2-1-3-7-12)19-10-13-8-4-5-9-14(13)11-19/h1-9,15H,10-11,17H2,(H,18,20)
InChIKeyXFOXIMKXJVYQJZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.73
Rot. Bonds3

About 2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide

2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide (PubChem CID 63572788) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide
PubChem CID63572788
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide
SMILESNNC(=O)C(c1ccccc1)N1Cc2ccccc2C1
InChIInChI=1S/C16H17N3O/c17-18-16(20)15(12-6-2-1-3-7-12)19-10-13-8-4-5-9-14(13)11-19/h1-9,15H,10-11,17H2,(H,18,20)
InChIKeyXFOXIMKXJVYQJZ-UHFFFAOYSA-N
XLogP1.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide
CID 63568815
2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetohydrazide
CID 103503815
2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide
CID 63574186
2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide
CID 63584652
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide
CID 107458803
2-(4-ethoxypiperidin-1-yl)-2-phenylacetohydrazide
CID 63572659
2-phenyl-2-(2,2,6-trimethylmorpholin-4-yl)acetohydrazide
CID 63585687
2-phenylpropanedihydrazide
CID 11424318
2-(3,3-dimethylmorpholin-4-yl)-2-phenylacetohydrazide
CID 55213078
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-phenylacetohydrazide
CID 63574106
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 18078382
(2S)-N-methyl-2-phenyl-2-piperidin-1-ylacetamide
CID 67962694

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide (CID 63572788) is 2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide is NNC(=O)C(c1ccccc1)N1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide?
The InChIKey is XFOXIMKXJVYQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-18-16(20)15(12-6-2-1-3-7-12)19-10-13-8-4-5-9-14(13)11-19/h1-9,15H,10-11,17H2,(H,18,20).
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide?
2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide has a molecular weight of 267.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide is sourced from PubChem (CID 63572788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).