2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide

C15H14ClF3N2OS — CID 55446616

IUPAC2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CNc1ccc(C(F)(F)F)cc1Cl)NCCc1cccs1
InChIInChI=1S/C15H14ClF3N2OS/c16-12-8-10(15(17,18)19)3-4-13(12)21-9-14(22)20-6-5-11-2-1-7-23-11/h1-4,7-8,21H,5-6,9H2,(H,20,22)
InChIKeyQREGFYYPGDLZRR-UHFFFAOYSA-N
MW362.80 g/mol
LogP4.19
Rot. Bonds6

About 2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide

2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 55446616) has the molecular formula C15H14ClF3N2OS and a molecular weight of 362.80 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID55446616
Molecular FormulaC15H14ClF3N2OS
Molecular Weight362.80 g/mol
Exact Mass362.05
IUPAC Name2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CNc1ccc(C(F)(F)F)cc1Cl)NCCc1cccs1
InChIInChI=1S/C15H14ClF3N2OS/c16-12-8-10(15(17,18)19)3-4-13(12)21-9-14(22)20-6-5-11-2-1-7-23-11/h1-4,7-8,21H,5-6,9H2,(H,20,22)
InChIKeyQREGFYYPGDLZRR-UHFFFAOYSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.80
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
CID 31666457
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-(trifluoromethyl)benzoate
CID 7603968
2-[[2-chloro-4-(trifluoromethyl)anilino]methyl]prop-2-enoic acid
CID 103250837
2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline
CID 66476593
2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol
CID 63667106
N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2-thiophen-2-ylacetamide
CID 9276937
N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24628332
2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline
CID 63773799
N-(2-acetylphenyl)-2-[2-chloro-4-(trifluoromethyl)anilino]acetamide
CID 55444935
N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770371
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2-phenylethyl)acetamide
CID 86886800

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide (CID 55446616) is 2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide is O=C(CNc1ccc(C(F)(F)F)cc1Cl)NCCc1cccs1.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is QREGFYYPGDLZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2OS/c16-12-8-10(15(17,18)19)3-4-13(12)21-9-14(22)20-6-5-11-2-1-7-23-11/h1-4,7-8,21H,5-6,9H2,(H,20,22).
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide?
2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 362.80 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 55446616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).