N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide

C15H12ClF3N2O2S — CID 113001015

IUPACN-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H12ClF3N2O2S/c16-9-3-4-12(11(6-9)15(17,18)19)21-14(23)8-20-13(22)7-10-2-1-5-24-10/h1-6H,7-8H2,(H,20,22)(H,21,23)
InChIKeyGTQOTWIOZJNBOH-UHFFFAOYSA-N
MW376.79 g/mol
LogP3.72
Rot. Bonds5

About N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide

N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide (PubChem CID 113001015) has the molecular formula C15H12ClF3N2O2S and a molecular weight of 376.79 g/mol. Its IUPAC name is N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide
PubChem CID113001015
Molecular FormulaC15H12ClF3N2O2S
Molecular Weight376.79 g/mol
Exact Mass376.03
IUPAC NameN-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C15H12ClF3N2O2S/c16-9-3-4-12(11(6-9)15(17,18)19)21-14(23)8-20-13(22)7-10-2-1-5-24-10/h1-6H,7-8H2,(H,20,22)(H,21,23)
InChIKeyGTQOTWIOZJNBOH-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.79
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide
CID 113001024
2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
CID 113001019
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 17395086
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001009
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 113000560
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 26437919
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 55432574

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide (CID 113001015) is N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide?
The InChIKey is GTQOTWIOZJNBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2S/c16-9-3-4-12(11(6-9)15(17,18)19)21-14(23)8-20-13(22)7-10-2-1-5-24-10/h1-6H,7-8H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide?
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide has a molecular weight of 376.79 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113001015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).