2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide

C15H16FN3O4 — CID 8532125

IUPAC2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCc1c(C(=O)NNC(=O)C(=O)NC(C)C)oc2c(F)cccc12
InChIInChI=1S/C15H16FN3O4/c1-7(2)17-14(21)15(22)19-18-13(20)11-8(3)9-5-4-6-10(16)12(9)23-11/h4-7H,1-3H3,(H,17,21)(H,18,20)(H,19,22)
InChIKeyPDZQKQQYJQTCST-UHFFFAOYSA-N
MW321.31 g/mol
LogP1.17
Rot. Bonds2

About 2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide

2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide (PubChem CID 8532125) has the molecular formula C15H16FN3O4 and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide
PubChem CID8532125
Molecular FormulaC15H16FN3O4
Molecular Weight321.31 g/mol
Exact Mass321.11
IUPAC Name2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide
SMILESCc1c(C(=O)NNC(=O)C(=O)NC(C)C)oc2c(F)cccc12
InChIInChI=1S/C15H16FN3O4/c1-7(2)17-14(21)15(22)19-18-13(20)11-8(3)9-5-4-6-10(16)12(9)23-11/h4-7H,1-3H3,(H,17,21)(H,18,20)(H,19,22)
InChIKeyPDZQKQQYJQTCST-UHFFFAOYSA-N
XLogP1.17
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 43393388
N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344598
N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115612802
7-fluoro-3-methyl-N-(2-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 9344647
7-fluoro-N-(4-hydroxy-2-methylbutyl)-3-methyl-1-benzofuran-2-carboxamide
CID 66106213
7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 9088549
(2S)-3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 107832842
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8951242
7-fluoro-N-(2-hydroxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 46665379
7-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methyl-1-benzofuran-2-carboxamide
CID 104927239
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 98690049

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide (CID 8532125) is 2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide is Cc1c(C(=O)NNC(=O)C(=O)NC(C)C)oc2c(F)cccc12.
What is the InChIKey of 2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
The InChIKey is PDZQKQQYJQTCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4/c1-7(2)17-14(21)15(22)19-18-13(20)11-8(3)9-5-4-6-10(16)12(9)23-11/h4-7H,1-3H3,(H,17,21)(H,18,20)(H,19,22).
What are the key properties of 2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide?
2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide has a molecular weight of 321.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 8532125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).