2-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C15H14ClFN2OS — CID 122162067

IUPAC2-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCc2sc(Cl)cc2C1
InChIInChI=1S/C15H14ClFN2OS/c16-14-7-11-9-19(6-5-13(11)21-14)15(20)18-8-10-1-3-12(17)4-2-10/h1-4,7H,5-6,8-9H2,(H,18,20)
InChIKeyVRQPEIIXHFBYAC-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.81
Rot. Bonds2

About 2-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

2-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 122162067) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID122162067
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name2-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCc2sc(Cl)cc2C1
InChIInChI=1S/C15H14ClFN2OS/c16-14-7-11-9-19(6-5-13(11)21-14)15(20)18-8-10-1-3-12(17)4-2-10/h1-4,7H,5-6,8-9H2,(H,18,20)
InChIKeyVRQPEIIXHFBYAC-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 122162067) is 2-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for 2-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(NCc1ccc(F)cc1)N1CCc2sc(Cl)cc2C1.
What is the InChIKey of 2-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is VRQPEIIXHFBYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c16-14-7-11-9-19(6-5-13(11)21-14)15(20)18-8-10-1-3-12(17)4-2-10/h1-4,7H,5-6,8-9H2,(H,18,20).
What are the key properties of 2-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
2-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 122162067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).