3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide

C18H14ClFN2O2S — CID 25161574

IUPAC3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C18H14ClFN2O2S/c1-22(10-15(23)21-12-6-4-5-11(20)9-12)18(24)17-16(19)13-7-2-3-8-14(13)25-17/h2-9H,10H2,1H3,(H,21,23)
InChIKeyMFTUXTJCHBRZFI-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.40
Rot. Bonds4

About 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide

3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 25161574) has the molecular formula C18H14ClFN2O2S and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID25161574
Molecular FormulaC18H14ClFN2O2S
Molecular Weight376.84 g/mol
Exact Mass376.04
IUPAC Name3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)c1sc2ccccc2c1Cl
InChIInChI=1S/C18H14ClFN2O2S/c1-22(10-15(23)21-12-6-4-5-11(20)9-12)18(24)17-16(19)13-7-2-3-8-14(13)25-17/h2-9H,10H2,1H3,(H,21,23)
InChIKeyMFTUXTJCHBRZFI-UHFFFAOYSA-N
XLogP4.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide (CID 25161574) is 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is MFTUXTJCHBRZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2S/c1-22(10-15(23)21-12-6-4-5-11(20)9-12)18(24)17-16(19)13-7-2-3-8-14(13)25-17/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 25161574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).