3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide

C18H14F3N3O4 — CID 102603809

IUPAC3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)Cn2cc(C(F)(F)F)ccc2=O)oc2ccccc12
InChIInChI=1S/C18H14F3N3O4/c1-10-12-4-2-3-5-13(12)28-16(10)17(27)23-22-14(25)9-24-8-11(18(19,20)21)6-7-15(24)26/h2-8H,9H2,1H3,(H,22,25)(H,23,27)
InChIKeyJDGSKDYDYOVJKR-UHFFFAOYSA-N
MW393.32 g/mol
LogP2.38
Rot. Bonds3

About 3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide

3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide (PubChem CID 102603809) has the molecular formula C18H14F3N3O4 and a molecular weight of 393.32 g/mol. Its IUPAC name is 3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide
PubChem CID102603809
Molecular FormulaC18H14F3N3O4
Molecular Weight393.32 g/mol
Exact Mass393.09
IUPAC Name3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)Cn2cc(C(F)(F)F)ccc2=O)oc2ccccc12
InChIInChI=1S/C18H14F3N3O4/c1-10-12-4-2-3-5-13(12)28-16(10)17(27)23-22-14(25)9-24-8-11(18(19,20)21)6-7-15(24)26/h2-8H,9H2,1H3,(H,22,25)(H,23,27)
InChIKeyJDGSKDYDYOVJKR-UHFFFAOYSA-N
XLogP2.38
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide
CID 51177211
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide
CID 51166600
4-nitro-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]benzohydrazide
CID 27678295
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 55506822
methyl 2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]benzoate
CID 2623859
3-methyl-N'-[2-nitro-4-(trifluoromethyl)phenyl]-1-benzofuran-2-carbohydrazide
CID 29408654
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-ylphenyl)acetamide
CID 2623827
3-methyl-N'-[2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]-1-benzofuran-2-carbohydrazide
CID 27685707
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8911906
N'-(3-methyl-1-benzofuran-2-carbonyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 24607749

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide (CID 102603809) is 3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)Cn2cc(C(F)(F)F)ccc2=O)oc2ccccc12.
What is the InChIKey of 3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is JDGSKDYDYOVJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O4/c1-10-12-4-2-3-5-13(12)28-16(10)17(27)23-22-14(25)9-24-8-11(18(19,20)21)6-7-15(24)26/h2-8H,9H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide?
3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 393.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 102603809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).