3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide

C19H17ClN2O3 — CID 8913304

IUPAC3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
SMILESCCc1ccc2c(CC(=O)NNC(=O)c3cccc(Cl)c3)coc2c1
InChIInChI=1S/C19H17ClN2O3/c1-2-12-6-7-16-14(11-25-17(16)8-12)10-18(23)21-22-19(24)13-4-3-5-15(20)9-13/h3-9,11H,2,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyHOKVTSLUQBCUJD-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.65
Rot. Bonds4

About 3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide

3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide (PubChem CID 8913304) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
PubChem CID8913304
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
SMILESCCc1ccc2c(CC(=O)NNC(=O)c3cccc(Cl)c3)coc2c1
InChIInChI=1S/C19H17ClN2O3/c1-2-12-6-7-16-14(11-25-17(16)8-12)10-18(23)21-22-19(24)13-4-3-5-15(20)9-13/h3-9,11H,2,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyHOKVTSLUQBCUJD-UHFFFAOYSA-N
XLogP3.65
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.65
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-(6-ethyl-1-benzofuran-3-yl)acetyl]furan-2-carbohydrazide
CID 18159487
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
CID 18164667
2-(6-ethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18107939
2-(6-ethyl-1-benzofuran-3-yl)acetic acid
CID 2393677
3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide
CID 1367057
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(6-ethyl-1-benzofuran-3-yl)acetohydrazide
CID 9470559
2-(6-ethyl-1-benzofuran-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2446439
N'-[2-(5-ethyl-1-benzofuran-3-yl)acetyl]-4-methoxybenzohydrazide
CID 18872538
2-(6-ethyl-1-benzofuran-3-yl)-N-[1-(furan-2-yl)ethyl]acetamide
CID 18110361
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8846121
N-[2,5-diethoxy-4-[[2-(6-ethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]benzamide
CID 42995905
3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 27134177

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide (CID 8913304) is 3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide is CCc1ccc2c(CC(=O)NNC(=O)c3cccc(Cl)c3)coc2c1.
What is the InChIKey of 3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
The InChIKey is HOKVTSLUQBCUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-2-12-6-7-16-14(11-25-17(16)8-12)10-18(23)21-22-19(24)13-4-3-5-15(20)9-13/h3-9,11H,2,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide?
3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide has a molecular weight of 356.81 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 8913304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).