1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide

C19H20N2O3 — CID 164897112

IUPAC1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide
SMILESCCCCC1OC(=O)c2cc(C(=O)NNc3ccccc3)ccc21
InChIInChI=1S/C19H20N2O3/c1-2-3-9-17-15-11-10-13(12-16(15)19(23)24-17)18(22)21-20-14-7-5-4-6-8-14/h4-8,10-12,17,20H,2-3,9H2,1H3,(H,21,22)
InChIKeyGHUYVICNEAKGOR-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.85
Rot. Bonds6

About 1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide

1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide (PubChem CID 164897112) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide.

Molecular Properties

Compound Name1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide
PubChem CID164897112
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide
SMILESCCCCC1OC(=O)c2cc(C(=O)NNc3ccccc3)ccc21
InChIInChI=1S/C19H20N2O3/c1-2-3-9-17-15-11-10-13(12-16(15)19(23)24-17)18(22)21-20-14-7-5-4-6-8-14/h4-8,10-12,17,20H,2-3,9H2,1H3,(H,21,22)
InChIKeyGHUYVICNEAKGOR-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.85
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

sodium;3-butyl-3H-2-benzofuran-1-one;chloride
CID 158720726
3-butyl-6-(cyclohexylamino)-3H-2-benzofuran-1-one
CID 23439119
6-[bis(2-hydroxyethyl)amino]-3-butyl-3H-2-benzofuran-1-one
CID 23275719
3-butyl-6-[3-(2-hydroxyphenyl)-5-methylpyrazol-1-yl]-3H-2-benzofuran-1-one
CID 177380307
methyl (2E)-2-(3-butyl-3H-2-benzofuran-1-ylidene)-2-phenylacetate
CID 23248861
3-butyl-7-hydroxy-3H-2-benzofuran-1-one
CID 10679779
2-bromobenzoic acid;3-hexyl-3H-2-benzofuran-1-one
CID 161321565
3-methylsulfanyl-N'-phenylbenzohydrazide
CID 54107491
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813
3-(3-hydroxypropyl)-3H-2-benzofuran-1-one
CID 15224510
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
4-butoxy-3-chloro-5-ethoxy-N'-phenylbenzohydrazide
CID 78774711

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide?
The IUPAC name of 1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide (CID 164897112) is 1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide.
What is the SMILES notation for 1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide?
The canonical SMILES for 1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide is CCCCC1OC(=O)c2cc(C(=O)NNc3ccccc3)ccc21.
What is the InChIKey of 1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide?
The InChIKey is GHUYVICNEAKGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-3-9-17-15-11-10-13(12-16(15)19(23)24-17)18(22)21-20-14-7-5-4-6-8-14/h4-8,10-12,17,20H,2-3,9H2,1H3,(H,21,22).
What are the key properties of 1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide?
1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide has a molecular weight of 324.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide is sourced from PubChem (CID 164897112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).