2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide

C16H17N3O — CID 63573353

IUPAC2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide
SMILESNNC(=O)c1ccccc1CN1Cc2ccccc2C1
InChIInChI=1S/C16H17N3O/c17-18-16(20)15-8-4-3-7-14(15)11-19-9-12-5-1-2-6-13(12)10-19/h1-8H,9-11,17H2,(H,18,20)
InChIKeyWXWZSELISVYFQD-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.81
Rot. Bonds3

About 2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide

2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide (PubChem CID 63573353) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide
PubChem CID63573353
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide
SMILESNNC(=O)c1ccccc1CN1Cc2ccccc2C1
InChIInChI=1S/C16H17N3O/c17-18-16(20)15-8-4-3-7-14(15)11-19-9-12-5-1-2-6-13(12)10-19/h1-8H,9-11,17H2,(H,18,20)
InChIKeyWXWZSELISVYFQD-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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-[(4-acetylpiperazin-1-yl)methyl]benzohydrazide
CID 63569716
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
2-[(4,4-dimethylpiperidin-1-yl)methyl]benzohydrazide
CID 63573428
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzohydrazide
CID 66371242
2-[(3-oxo-1,4-diazepan-1-yl)methyl]benzohydrazide
CID 65366363
2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 112629323
[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 13041721
2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzohydrazide
CID 82689559
methyl 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]acetate
CID 115462844
2-propylbenzohydrazide
CID 140653675
2-[(3-methyl-2-oxoimidazol-1-yl)methyl]benzohydrazide
CID 80582908
2-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]benzohydrazide
CID 79886178

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide?
The IUPAC name of 2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide (CID 63573353) is 2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide is NNC(=O)c1ccccc1CN1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide?
The InChIKey is WXWZSELISVYFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-18-16(20)15-8-4-3-7-14(15)11-19-9-12-5-1-2-6-13(12)10-19/h1-8H,9-11,17H2,(H,18,20).
What are the key properties of 2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide?
2-(1,3-dihydroisoindol-2-ylmethyl)benzohydrazide has a molecular weight of 267.33 g/mol, XLogP of 1.81, 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-ylmethyl)benzohydrazide is sourced from PubChem (CID 63573353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).