N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide

C13H9ClF3NOS — CID 803155

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF3NOS/c14-11-4-3-8(6-10(11)13(15,16)17)18-12(19)7-9-2-1-5-20-9/h1-6H,7H2,(H,18,19)
InChIKeyKKIGKRCLZRJEKG-UHFFFAOYSA-N
MW319.74 g/mol
LogP4.60
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 803155) has the molecular formula C13H9ClF3NOS and a molecular weight of 319.74 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID803155
Molecular FormulaC13H9ClF3NOS
Molecular Weight319.74 g/mol
Exact Mass319.00
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF3NOS/c14-11-4-3-8(6-10(11)13(15,16)17)18-12(19)7-9-2-1-5-20-9/h1-6H,7H2,(H,18,19)
InChIKeyKKIGKRCLZRJEKG-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide (CID 803155) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is KKIGKRCLZRJEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NOS/c14-11-4-3-8(6-10(11)13(15,16)17)18-12(19)7-9-2-1-5-20-9/h1-6H,7H2,(H,18,19).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 319.74 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 803155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).