N-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide

C15H9FN2O3S — CID 17405213

IUPACN-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc2cc([N+](=O)[O-])ccc2s1
InChIInChI=1S/C15H9FN2O3S/c16-11-3-1-2-4-12(11)17-15(19)14-8-9-7-10(18(20)21)5-6-13(9)22-14/h1-8H,(H,17,19)
InChIKeyRFZRIMPPSWPTNS-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.20
Rot. Bonds3

About N-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide

N-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide (PubChem CID 17405213) has the molecular formula C15H9FN2O3S and a molecular weight of 316.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide
PubChem CID17405213
Molecular FormulaC15H9FN2O3S
Molecular Weight316.31 g/mol
Exact Mass316.03
IUPAC NameN-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc2cc([N+](=O)[O-])ccc2s1
InChIInChI=1S/C15H9FN2O3S/c16-11-3-1-2-4-12(11)17-15(19)14-8-9-7-10(18(20)21)5-6-13(9)22-14/h1-8H,(H,17,19)
InChIKeyRFZRIMPPSWPTNS-UHFFFAOYSA-N
XLogP4.20
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.20
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

N-[(Z)-(2-fluorophenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 6279718
5-nitro-N-(4-phenyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 4175471
4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235
1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 2873591
N-[2-(4-fluorophenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide
CID 9402533
N-butyl-5-nitro-1-benzothiophene-2-carboxamide
CID 36710852
N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-1-benzothiophene-2-carboxamide
CID 959031
CID 131866422
CID 131866422
5-nitro-1-benzothiophene-2-carbonyl chloride
CID 2794619
N-[2-(ethylamino)ethyl]-5-nitro-1-benzothiophene-2-carboxamide
CID 119506172
N-(5-methyl-2-pyridinyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 17432330
N-(3-carbamoylthiophen-2-yl)-5-nitro-1-benzothiophene-2-carboxamide
CID 7167005

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide (CID 17405213) is N-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1F)c1cc2cc([N+](=O)[O-])ccc2s1.
What is the InChIKey of N-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide?
The InChIKey is RFZRIMPPSWPTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3S/c16-11-3-1-2-4-12(11)17-15(19)14-8-9-7-10(18(20)21)5-6-13(9)22-14/h1-8H,(H,17,19).
What are the key properties of N-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide?
N-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-nitro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 17405213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).