N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide

C17H13FN2O2S — CID 18196797

IUPACN'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2)sc2cccc(F)c12
InChIInChI=1S/C17H13FN2O2S/c1-10-14-12(18)8-5-9-13(14)23-15(10)17(22)20-19-16(21)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyOZHFJYHGEWOUTN-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.42
Rot. Bonds2

About N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide

N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide (PubChem CID 18196797) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide
PubChem CID18196797
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC NameN'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2)sc2cccc(F)c12
InChIInChI=1S/C17H13FN2O2S/c1-10-14-12(18)8-5-9-13(14)23-15(10)17(22)20-19-16(21)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,21)(H,20,22)
InChIKeyOZHFJYHGEWOUTN-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.42
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

4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
N'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide
CID 46510072
4-fluoro-3-methyl-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide
CID 24539845
4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 43393128
4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 78821511
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857
4-fluoro-3-methyl-N-[(2S)-2-phenylpropyl]-1-benzothiophene-2-carboxamide
CID 9457233
4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 7129158
4-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 103895373
N-cyclopentyl-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 26721964
4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide
CID 33141822
4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8776982

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide?
The IUPAC name of N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide (CID 18196797) is N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccccc2)sc2cccc(F)c12.
What is the InChIKey of N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide?
The InChIKey is OZHFJYHGEWOUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c1-10-14-12(18)8-5-9-13(14)23-15(10)17(22)20-19-16(21)11-6-3-2-4-7-11/h2-9H,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide?
N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide has a molecular weight of 328.37 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-4-fluoro-3-methyl-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 18196797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).