N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide

C18H15FN2O3 — CID 26927325

IUPACN'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)Cc2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C18H15FN2O3/c1-11-14-4-2-3-5-15(14)24-17(11)18(23)21-20-16(22)10-12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyGWLMLQOJXPQMLY-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.88
Rot. Bonds3

About N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide

N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 26927325) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID26927325
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)Cc2ccc(F)cc2)oc2ccccc12
InChIInChI=1S/C18H15FN2O3/c1-11-14-4-2-3-5-15(14)24-17(11)18(23)21-20-16(22)10-12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyGWLMLQOJXPQMLY-UHFFFAOYSA-N
XLogP2.88
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 55506822
N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26873945
3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide
CID 51177211
2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
CID 108793560
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 38700582
3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792
5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide
CID 17441780
N'-(4-chloro-2-fluorobenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27163697
5-fluoro-3-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 24502823
5-chloro-N'-[2-(1H-indol-3-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 31829676
3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 26873925

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide (CID 26927325) is N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)Cc2ccc(F)cc2)oc2ccccc12.
What is the InChIKey of N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is GWLMLQOJXPQMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-11-14-4-2-3-5-15(14)24-17(11)18(23)21-20-16(22)10-12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 326.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 26927325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).