5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

C13H9ClF3NOS — CID 27052494

IUPAC5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C13H9ClF3NOS/c14-11-6-5-10(20-11)12(19)18-7-8-1-3-9(4-2-8)13(15,16)17/h1-6H,7H2,(H,18,19)
InChIKeyGGQFGQJSLSMRSR-UHFFFAOYSA-N
MW319.74 g/mol
LogP4.35
Rot. Bonds3

About 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 27052494) has the molecular formula C13H9ClF3NOS and a molecular weight of 319.74 g/mol. Its IUPAC name is 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID27052494
Molecular FormulaC13H9ClF3NOS
Molecular Weight319.74 g/mol
Exact Mass319.00
IUPAC Name5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C13H9ClF3NOS/c14-11-6-5-10(20-11)12(19)18-7-8-1-3-9(4-2-8)13(15,16)17/h1-6H,7H2,(H,18,19)
InChIKeyGGQFGQJSLSMRSR-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (CID 27052494) is 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is GGQFGQJSLSMRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NOS/c14-11-6-5-10(20-11)12(19)18-7-8-1-3-9(4-2-8)13(15,16)17/h1-6H,7H2,(H,18,19).
What are the key properties of 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 319.74 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 27052494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).