7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide

C24H19FN2O4 — CID 9085705

IUPAC7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)oc2c(F)cccc12
InChIInChI=1S/C24H19FN2O4/c1-15-17-11-7-12-19(25)23(17)31-22(15)24(29)27-26-21(28)14-30-20-13-6-5-10-18(20)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,26,28)(H,27,29)
InChIKeyGBVMAMYTMWLHJB-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.39
Rot. Bonds5

About 7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide

7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide (PubChem CID 9085705) has the molecular formula C24H19FN2O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is 7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
PubChem CID9085705
Molecular FormulaC24H19FN2O4
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC Name7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)oc2c(F)cccc12
InChIInChI=1S/C24H19FN2O4/c1-15-17-11-7-12-19(25)23(17)31-22(15)24(29)27-26-21(28)14-30-20-13-6-5-10-18(20)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,26,28)(H,27,29)
InChIKeyGBVMAMYTMWLHJB-UHFFFAOYSA-N
XLogP4.39
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.39
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

N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide
CID 9087972
7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 9088549
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
2-chloro-6-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771931
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
4-oxo-N'-[2-(2-phenylphenoxy)acetyl]chromene-2-carbohydrazide
CID 27568393
2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8532125
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 47839265
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 2712895

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide (CID 9085705) is 7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is GBVMAMYTMWLHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4/c1-15-17-11-7-12-19(25)23(17)31-22(15)24(29)27-26-21(28)14-30-20-13-6-5-10-18(20)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 418.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9085705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).