N'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide

C15H10BrFN2O3S — CID 9090844

IUPACN'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccc(Br)s2)oc2ccc(F)cc12
InChIInChI=1S/C15H10BrFN2O3S/c1-7-9-6-8(17)2-3-10(9)22-13(7)15(21)19-18-14(20)11-4-5-12(16)23-11/h2-6H,1H3,(H,18,20)(H,19,21)
InChIKeyBIXHHCLHEVFTJX-UHFFFAOYSA-N
MW397.23 g/mol
LogP3.78
Rot. Bonds2

About N'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide

N'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 9090844) has the molecular formula C15H10BrFN2O3S and a molecular weight of 397.23 g/mol. Its IUPAC name is N'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID9090844
Molecular FormulaC15H10BrFN2O3S
Molecular Weight397.23 g/mol
Exact Mass395.96
IUPAC NameN'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccc(Br)s2)oc2ccc(F)cc12
InChIInChI=1S/C15H10BrFN2O3S/c1-7-9-6-8(17)2-3-10(9)22-13(7)15(21)19-18-14(20)11-4-5-12(16)23-11/h2-6H,1H3,(H,18,20)(H,19,21)
InChIKeyBIXHHCLHEVFTJX-UHFFFAOYSA-N
XLogP3.78
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.23
LogP ≤ 53.78
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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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide (CID 9090844) is N'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccc(Br)s2)oc2ccc(F)cc12.
What is the InChIKey of N'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is BIXHHCLHEVFTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O3S/c1-7-9-6-8(17)2-3-10(9)22-13(7)15(21)19-18-14(20)11-4-5-12(16)23-11/h2-6H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide?
N'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 397.23 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromothiophene-2-carbonyl)-5-fluoro-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9090844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).