N'-(2,5-dimethylfuran-3-carbonyl)-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carbohydrazide

C17H12F4N2O4 — CID 26739192

IUPACN'-(2,5-dimethylfuran-3-carbonyl)-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2c(C)oc3c(F)c(F)c(F)c(F)c23)c(C)o1
InChIInChI=1S/C17H12F4N2O4/c1-5-4-8(6(2)26-5)16(24)22-23-17(25)9-7(3)27-15-10(9)11(18)12(19)13(20)14(15)21/h4H,1-3H3,(H,22,24)(H,23,25)
InChIKeyCGUASJIMFMYZER-UHFFFAOYSA-N
MW384.29 g/mol
LogP3.58
Rot. Bonds2

About N'-(2,5-dimethylfuran-3-carbonyl)-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carbohydrazide

N'-(2,5-dimethylfuran-3-carbonyl)-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carbohydrazide (PubChem CID 26739192) has the molecular formula C17H12F4N2O4 and a molecular weight of 384.29 g/mol. Its IUPAC name is N'-(2,5-dimethylfuran-3-carbonyl)-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylfuran-3-carbonyl)-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carbohydrazide
PubChem CID26739192
Molecular FormulaC17H12F4N2O4
Molecular Weight384.29 g/mol
Exact Mass384.07
IUPAC NameN'-(2,5-dimethylfuran-3-carbonyl)-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2c(C)oc3c(F)c(F)c(F)c(F)c23)c(C)o1
InChIInChI=1S/C17H12F4N2O4/c1-5-4-8(6(2)26-5)16(24)22-23-17(25)9-7(3)27-15-10(9)11(18)12(19)13(20)14(15)21/h4H,1-3H3,(H,22,24)(H,23,25)
InChIKeyCGUASJIMFMYZER-UHFFFAOYSA-N
XLogP3.58
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carbohydrazide (CID 26739192) is N'-(2,5-dimethylfuran-3-carbonyl)-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylfuran-3-carbonyl)-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylfuran-3-carbonyl)-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2c(C)oc3c(F)c(F)c(F)c(F)c23)c(C)o1.
What is the InChIKey of N'-(2,5-dimethylfuran-3-carbonyl)-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carbohydrazide?
The InChIKey is CGUASJIMFMYZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O4/c1-5-4-8(6(2)26-5)16(24)22-23-17(25)9-7(3)27-15-10(9)11(18)12(19)13(20)14(15)21/h4H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-(2,5-dimethylfuran-3-carbonyl)-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carbohydrazide?
N'-(2,5-dimethylfuran-3-carbonyl)-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carbohydrazide has a molecular weight of 384.29 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylfuran-3-carbonyl)-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 26739192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).