N'-[2-(4-ethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide

C19H18N2O4 — CID 725700

IUPACN'-[2-(4-ethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H18N2O4/c1-2-13-7-9-15(10-8-13)24-12-18(22)20-21-19(23)17-11-14-5-3-4-6-16(14)25-17/h3-11H,2,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyALFMVTXTCCSGBA-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.84
Rot. Bonds5

About N'-[2-(4-ethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide

N'-[2-(4-ethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide (PubChem CID 725700) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N'-[2-(4-ethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
PubChem CID725700
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN'-[2-(4-ethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C19H18N2O4/c1-2-13-7-9-15(10-8-13)24-12-18(22)20-21-19(23)17-11-14-5-3-4-6-16(14)25-17/h3-11H,2,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyALFMVTXTCCSGBA-UHFFFAOYSA-N
XLogP2.84
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Benzofurancarboxamide
CID 687121
Hdac3-IN-8
CID 166628045
5-fluoro-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166635529
5-[(2-Naphthyloxy)methyl]-2-furohydrazide
CID 726927
N-hydroxy-4-[2-(benzofuran-2-yl-carbonylamino)-ethoxy]-benzamide
CID 24971310
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-furohydrazide
CID 876401
2-{[2-(1-Benzofuran-2-ylcarbonyl)hydrazinyl]carbonyl}benzoic acid
CID 919614
5-((4-(tert-Butyl)phenoxy)methyl)furan-2-carbohydrazide
CID 948639
1-(1-Benzofuran-2-carbonylamino)-3-[(4-methoxyphenyl)methyl]thiourea
CID 1143567
2-Benzofurancarboxamide,3-methyl-N-4-morpholinyl-(9CI)
CID 1246938
N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 2982934
5-(Naphthalen-1-yloxymethyl)furan-2-carbohydrazide
CID 3791373

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[2-(4-ethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide (CID 725700) is N'-[2-(4-ethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-ethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-ethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide is CCc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N'-[2-(4-ethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is ALFMVTXTCCSGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-13-7-9-15(10-8-13)24-12-18(22)20-21-19(23)17-11-14-5-3-4-6-16(14)25-17/h3-11H,2,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-ethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
N'-[2-(4-ethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 338.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 725700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).