N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-carboxamide

C13H9ClF3NOS — CID 1246469

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cs1
InChIInChI=1S/C13H9ClF3NOS/c1-7-4-8(6-20-7)12(19)18-11-3-2-9(14)5-10(11)13(15,16)17/h2-6H,1H3,(H,18,19)
InChIKeyYZHCRRJMSSLVGT-UHFFFAOYSA-N
MW319.74 g/mol
LogP4.98
Rot. Bonds2

About N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-carboxamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-carboxamide (PubChem CID 1246469) has the molecular formula C13H9ClF3NOS and a molecular weight of 319.74 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-carboxamide
PubChem CID1246469
Molecular FormulaC13H9ClF3NOS
Molecular Weight319.74 g/mol
Exact Mass319.00
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cs1
InChIInChI=1S/C13H9ClF3NOS/c1-7-4-8(6-20-7)12(19)18-11-3-2-9(14)5-10(11)13(15,16)17/h2-6H,1H3,(H,18,19)
InChIKeyYZHCRRJMSSLVGT-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-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 N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-carboxamide (CID 1246469) is N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cs1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-carboxamide?
The InChIKey is YZHCRRJMSSLVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NOS/c1-7-4-8(6-20-7)12(19)18-11-3-2-9(14)5-10(11)13(15,16)17/h2-6H,1H3,(H,18,19).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-carboxamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-carboxamide has a molecular weight of 319.74 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 1246469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).