N'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide

C18H15FN2O4 — CID 4780828

IUPACN'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C18H15FN2O4/c1-11(24-15-9-5-3-7-13(15)19)17(22)20-21-18(23)16-10-12-6-2-4-8-14(12)25-16/h2-11H,1H3,(H,20,22)(H,21,23)
InChIKeyCCIHVPCYBFNYFG-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.80
Rot. Bonds4

About N'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide

N'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide (PubChem CID 4780828) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide
PubChem CID4780828
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC NameN'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide
SMILESCC(Oc1ccccc1F)C(=O)NNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C18H15FN2O4/c1-11(24-15-9-5-3-7-13(15)19)17(22)20-21-18(23)16-10-12-6-2-4-8-14(12)25-16/h2-11H,1H3,(H,20,22)(H,21,23)
InChIKeyCCIHVPCYBFNYFG-UHFFFAOYSA-N
XLogP2.80
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.80
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
2-{[2-(1-Benzofuran-2-ylcarbonyl)hydrazinyl]carbonyl}benzoic acid
CID 919614
2-Benzofurancarboxamide,3-methyl-N-4-morpholinyl-(9CI)
CID 1246938
5-(Naphthalen-1-yloxymethyl)furan-2-carbohydrazide
CID 3791373
N'-(2-hydroxybenzoyl)-1-benzofuran-2-carbohydrazide
CID 7661749
N'-[(4-oxo-4H-chromen-3-yl)methylene]-1-benzofuran-2-carbohydrazide
CID 9557333
Naphtho[2,1-b]furan-2-carbohydrazide
CID 2764524
2-Fluoro-N'-(furan-2-carbonyl)benzohydrazide
CID 5091735
N''-(phenylsulfonyl)benzofuran-2-carbohydrazide
CID 9879950
N-(benzo[d]furan-2-ylcarbonylamino)-2-phenoxyacetamide
CID 725695

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide (CID 4780828) is N'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide is CC(Oc1ccccc1F)C(=O)NNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is CCIHVPCYBFNYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c1-11(24-15-9-5-3-7-13(15)19)17(22)20-21-18(23)16-10-12-6-2-4-8-14(12)25-16/h2-11H,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide?
N'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 342.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)propanoyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 4780828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).