N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide

C12H7ClF3NO2S — CID 2741510

IUPACN-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1OC(F)(F)F)c1cccs1
InChIInChI=1S/C12H7ClF3NO2S/c13-7-3-4-8(9(6-7)19-12(14,15)16)17-11(18)10-2-1-5-20-10/h1-6H,(H,17,18)
InChIKeyZJLMONBHXISGOI-UHFFFAOYSA-N
MW321.71 g/mol
LogP4.55
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide

N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 2741510) has the molecular formula C12H7ClF3NO2S and a molecular weight of 321.71 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
PubChem CID2741510
Molecular FormulaC12H7ClF3NO2S
Molecular Weight321.71 g/mol
Exact Mass320.98
IUPAC NameN-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1OC(F)(F)F)c1cccs1
InChIInChI=1S/C12H7ClF3NO2S/c13-7-3-4-8(9(6-7)19-12(14,15)16)17-11(18)10-2-1-5-20-10/h1-6H,(H,17,18)
InChIKeyZJLMONBHXISGOI-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55447323
N-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 2740405
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]thiophene-2-carboxamide
CID 50882577
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]thiophene-2-carboxamide
CID 26267194
N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
CID 63372873
N-[5-chloro-2-(2-hydroxyethyl)phenyl]thiophene-2-carboxamide
CID 164851927
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161370
N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 30272406
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[2-chloro-4-(2,2-dimethylpropanoylamino)phenyl]thiophene-2-carboxamide
CID 17296780
(3,3-dimethyl-2-oxobutyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate
CID 7879705

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide (CID 2741510) is N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Cl)cc1OC(F)(F)F)c1cccs1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is ZJLMONBHXISGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO2S/c13-7-3-4-8(9(6-7)19-12(14,15)16)17-11(18)10-2-1-5-20-10/h1-6H,(H,17,18).
What are the key properties of N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide?
N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 321.71 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 2741510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).