3-chloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide

C18H14ClFN2O2S — CID 24981492

IUPAC3-chloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1ccccc1F
InChIInChI=1S/C18H14ClFN2O2S/c19-16-12-6-2-4-8-14(12)25-17(16)18(24)22-10-15(23)21-9-11-5-1-3-7-13(11)20/h1-8H,9-10H2,(H,21,23)(H,22,24)
InChIKeyPYGOLVRIOPEYCF-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.74
Rot. Bonds5

About 3-chloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide (PubChem CID 24981492) has the molecular formula C18H14ClFN2O2S and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-chloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
PubChem CID24981492
Molecular FormulaC18H14ClFN2O2S
Molecular Weight376.84 g/mol
Exact Mass376.04
IUPAC Name3-chloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1ccccc1F
InChIInChI=1S/C18H14ClFN2O2S/c19-16-12-6-2-4-8-14(12)25-17(16)18(24)22-10-15(23)21-9-11-5-1-3-7-13(11)20/h1-8H,9-10H2,(H,21,23)(H,22,24)
InChIKeyPYGOLVRIOPEYCF-UHFFFAOYSA-N
XLogP3.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide (CID 24981492) is 3-chloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide is O=C(CNC(=O)c1sc2ccccc2c1Cl)NCc1ccccc1F.
What is the InChIKey of 3-chloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is PYGOLVRIOPEYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2S/c19-16-12-6-2-4-8-14(12)25-17(16)18(24)22-10-15(23)21-9-11-5-1-3-7-13(11)20/h1-8H,9-10H2,(H,21,23)(H,22,24).
What are the key properties of 3-chloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 376.84 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24981492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).