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

C20H15Cl2FN2OS — CID 155516839

IUPACN-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCc2sccc2C1c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2FN2OS/c21-13-3-1-12(2-4-13)19-15-8-10-27-18(15)7-9-25(19)20(26)24-14-5-6-17(23)16(22)11-14/h1-6,8,10-11,19H,7,9H2,(H,24,26)
InChIKeyZBENQXATCDLKBU-UHFFFAOYSA-N
MW421.32 g/mol
LogP6.37
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 155516839) has the molecular formula C20H15Cl2FN2OS and a molecular weight of 421.32 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID155516839
Molecular FormulaC20H15Cl2FN2OS
Molecular Weight421.32 g/mol
Exact Mass420.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCc2sccc2C1c1ccc(Cl)cc1
InChIInChI=1S/C20H15Cl2FN2OS/c21-13-3-1-12(2-4-13)19-15-8-10-27-18(15)7-9-25(19)20(26)24-14-5-6-17(23)16(22)11-14/h1-6,8,10-11,19H,7,9H2,(H,24,26)
InChIKeyZBENQXATCDLKBU-UHFFFAOYSA-N
XLogP6.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.32
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 155516839) is N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)N1CCc2sccc2C1c1ccc(Cl)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is ZBENQXATCDLKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN2OS/c21-13-3-1-12(2-4-13)19-15-8-10-27-18(15)7-9-25(19)20(26)24-14-5-6-17(23)16(22)11-14/h1-6,8,10-11,19H,7,9H2,(H,24,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 421.32 g/mol, XLogP of 6.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 155516839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).