N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide

C22H18N2O3 — CID 4728287

IUPACN'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C22H18N2O3/c1-14-6-2-4-8-17(14)22(26)24-23-20(25)12-16-13-27-19-11-10-15-7-3-5-9-18(15)21(16)19/h2-11,13H,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyMJHXHTVCCIAIFB-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.90
Rot. Bonds3

About N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide

N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide (PubChem CID 4728287) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide
PubChem CID4728287
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C22H18N2O3/c1-14-6-2-4-8-17(14)22(26)24-23-20(25)12-16-13-27-19-11-10-15-7-3-5-9-18(15)21(16)19/h2-11,13H,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyMJHXHTVCCIAIFB-UHFFFAOYSA-N
XLogP3.90
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-benzo[e][1]benzofuran-1-ylacetyl)quinoline-2-carbohydrazide
CID 29266482
3-[[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 24638380
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
CID 9077912
2-benzo[e][1]benzofuran-1-yl-N-[2-(2-methoxyethylamino)-2-oxoethyl]acetamide
CID 18110418
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-4-(tetrazol-1-yl)benzohydrazide
CID 30878164
2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921521
N'-[2-(1-adamantyl)acetyl]-2-benzo[e][1]benzofuran-1-ylacetohydrazide
CID 5132781
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-3-methylbutyl]acetamide
CID 24650064
1-methylbenzo[e][1]benzofuran
CID 13085655
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773

Frequently Asked Questions

What is the IUPAC name of N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide?
The IUPAC name of N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide (CID 4728287) is N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide.
What is the SMILES notation for N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide?
The canonical SMILES for N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide is Cc1ccccc1C(=O)NNC(=O)Cc1coc2ccc3ccccc3c12.
What is the InChIKey of N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide?
The InChIKey is MJHXHTVCCIAIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14-6-2-4-8-17(14)22(26)24-23-20(25)12-16-13-27-19-11-10-15-7-3-5-9-18(15)21(16)19/h2-11,13H,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide?
N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide has a molecular weight of 358.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzo[e][1]benzofuran-1-ylacetyl)-2-methylbenzohydrazide is sourced from PubChem (CID 4728287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).