4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide

C12H9ClFNOS — CID 144538905

IUPAC4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cc(Cl)cs1
InChIInChI=1S/C12H9ClFNOS/c13-9-5-11(17-7-9)12(16)15-6-8-2-1-3-10(14)4-8/h1-5,7H,6H2,(H,15,16)
InChIKeyLJPZOZFGQJTHMI-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.47
Rot. Bonds3

About 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide

4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide (PubChem CID 144538905) has the molecular formula C12H9ClFNOS and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide
PubChem CID144538905
Molecular FormulaC12H9ClFNOS
Molecular Weight269.73 g/mol
Exact Mass269.01
IUPAC Name4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1cc(Cl)cs1
InChIInChI=1S/C12H9ClFNOS/c13-9-5-11(17-7-9)12(16)15-6-8-2-1-3-10(14)4-8/h1-5,7H,6H2,(H,15,16)
InChIKeyLJPZOZFGQJTHMI-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide (CID 144538905) is 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide is O=C(NCc1cccc(F)c1)c1cc(Cl)cs1.
What is the InChIKey of 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide?
The InChIKey is LJPZOZFGQJTHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNOS/c13-9-5-11(17-7-9)12(16)15-6-8-2-1-3-10(14)4-8/h1-5,7H,6H2,(H,15,16).
What are the key properties of 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide?
4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 144538905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).