N-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide

C16H12FNO2S — CID 103606523

IUPACN-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3sccc3c2)c(F)c1
InChIInChI=1S/C16H12FNO2S/c1-20-12-3-4-13(14(17)9-12)16(19)18-11-2-5-15-10(8-11)6-7-21-15/h2-9H,1H3,(H,18,19)
InChIKeyQBGJBYASMQXFSZ-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.30
Rot. Bonds3

About N-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide

N-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide (PubChem CID 103606523) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide
PubChem CID103606523
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC NameN-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3sccc3c2)c(F)c1
InChIInChI=1S/C16H12FNO2S/c1-20-12-3-4-13(14(17)9-12)16(19)18-11-2-5-15-10(8-11)6-7-21-15/h2-9H,1H3,(H,18,19)
InChIKeyQBGJBYASMQXFSZ-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide (CID 103606523) is N-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3sccc3c2)c(F)c1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide?
The InChIKey is QBGJBYASMQXFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c1-20-12-3-4-13(14(17)9-12)16(19)18-11-2-5-15-10(8-11)6-7-21-15/h2-9H,1H3,(H,18,19).
What are the key properties of N-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide?
N-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide has a molecular weight of 301.34 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 103606523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).