3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide

C15H16ClFN2O2S — CID 752921

IUPAC3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C15H16ClFN2O2S/c16-13-11-2-1-10(17)9-12(11)22-14(13)15(20)18-3-4-19-5-7-21-8-6-19/h1-2,9H,3-8H2,(H,18,20)
InChIKeyMQTFAQSFIGKJAQ-UHFFFAOYSA-N
MW342.82 g/mol
LogP2.76
Rot. Bonds4

About 3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide

3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 752921) has the molecular formula C15H16ClFN2O2S and a molecular weight of 342.82 g/mol. Its IUPAC name is 3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide
PubChem CID752921
Molecular FormulaC15H16ClFN2O2S
Molecular Weight342.82 g/mol
Exact Mass342.06
IUPAC Name3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C15H16ClFN2O2S/c16-13-11-2-1-10(17)9-12(11)22-14(13)15(20)18-3-4-19-5-7-21-8-6-19/h1-2,9H,3-8H2,(H,18,20)
InChIKeyMQTFAQSFIGKJAQ-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide (CID 752921) is 3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide is O=C(NCCN1CCOCC1)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of 3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is MQTFAQSFIGKJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2S/c16-13-11-2-1-10(17)9-12(11)22-14(13)15(20)18-3-4-19-5-7-21-8-6-19/h1-2,9H,3-8H2,(H,18,20).
What are the key properties of 3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide?
3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 342.82 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-fluoro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 752921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).