2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide

C20H17ClN2O3 — CID 35931058

IUPAC2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide
SMILESO=C(Cc1coc2cc3c(cc12)CCC3)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C20H17ClN2O3/c21-17-7-2-1-6-15(17)20(25)23-22-19(24)10-14-11-26-18-9-13-5-3-4-12(13)8-16(14)18/h1-2,6-9,11H,3-5,10H2,(H,22,24)(H,23,25)
InChIKeyNBNKIYUPHCYQCL-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.58
Rot. Bonds3

About 2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide

2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide (PubChem CID 35931058) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide
PubChem CID35931058
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide
SMILESO=C(Cc1coc2cc3c(cc12)CCC3)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C20H17ClN2O3/c21-17-7-2-1-6-15(17)20(25)23-22-19(24)10-14-11-26-18-9-13-5-3-4-12(13)8-16(14)18/h1-2,6-9,11H,3-5,10H2,(H,22,24)(H,23,25)
InChIKeyNBNKIYUPHCYQCL-UHFFFAOYSA-N
XLogP3.58
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872413
N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 46462194
N'-[2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetyl]-2-fluorobenzohydrazide
CID 18872065
N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 4847739
N-(2-chloro-4-fluorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 26692799
N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide
CID 4833101
2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18871924
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 112814061
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-hydroxypropyl)acetamide
CID 78798042
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51154057
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 51927353
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 29291454

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide (CID 35931058) is 2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide is O=C(Cc1coc2cc3c(cc12)CCC3)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide?
The InChIKey is NBNKIYUPHCYQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c21-17-7-2-1-6-15(17)20(25)23-22-19(24)10-14-11-26-18-9-13-5-3-4-12(13)8-16(14)18/h1-2,6-9,11H,3-5,10H2,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide?
2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide has a molecular weight of 368.82 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 35931058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).