4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide

C16H10F2N2O3S — CID 60592753

IUPAC4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)sc2cccc(F)c12
InChIInChI=1S/C16H10F2N2O3S/c1-8-14-11(18)3-2-4-13(14)24-15(8)16(21)19-12-7-9(20(22)23)5-6-10(12)17/h2-7H,1H3,(H,19,21)
InChIKeyUMIQENSQGZNGST-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.65
Rot. Bonds3

About 4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide

4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 60592753) has the molecular formula C16H10F2N2O3S and a molecular weight of 348.33 g/mol. Its IUPAC name is 4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID60592753
Molecular FormulaC16H10F2N2O3S
Molecular Weight348.33 g/mol
Exact Mass348.04
IUPAC Name4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)sc2cccc(F)c12
InChIInChI=1S/C16H10F2N2O3S/c1-8-14-11(18)3-2-4-13(14)24-15(8)16(21)19-12-7-9(20(22)23)5-6-10(12)17/h2-7H,1H3,(H,19,21)
InChIKeyUMIQENSQGZNGST-UHFFFAOYSA-N
XLogP4.65
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 60599278
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857
4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8776982
4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 33070425
4-fluoro-N-(3-hydroxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 78821511
4-fluoro-3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide
CID 55764838
4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 7129158
6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 115496793
2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366
N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62044834
4-fluoro-N-(2-hydroxyethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 43393128

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide (CID 60592753) is 4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is UMIQENSQGZNGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O3S/c1-8-14-11(18)3-2-4-13(14)24-15(8)16(21)19-12-7-9(20(22)23)5-6-10(12)17/h2-7H,1H3,(H,19,21).
What are the key properties of 4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide?
4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 348.33 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 60592753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).