3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide

C14H11F4NOS — CID 59054325

IUPAC3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H11F4NOS/c15-11-7-9(6-10(8-11)14(16,17)18)13(20)19-4-3-12-2-1-5-21-12/h1-2,5-8H,3-4H2,(H,19,20)
InChIKeyBZMYKEYEQUPSKA-UHFFFAOYSA-N
MW317.31 g/mol
LogP3.88
Rot. Bonds4

About 3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide

3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide (PubChem CID 59054325) has the molecular formula C14H11F4NOS and a molecular weight of 317.31 g/mol. Its IUPAC name is 3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide
PubChem CID59054325
Molecular FormulaC14H11F4NOS
Molecular Weight317.31 g/mol
Exact Mass317.05
IUPAC Name3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide
SMILESO=C(NCCc1cccs1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H11F4NOS/c15-11-7-9(6-10(8-11)14(16,17)18)13(20)19-4-3-12-2-1-5-21-12/h1-2,5-8H,3-4H2,(H,19,20)
InChIKeyBZMYKEYEQUPSKA-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3c
CID 25023797
Thiophene derivative, 3e
CID 25023798
N-(cyclohexylmethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023800
2,2,2-trifluoro-1-[5-({[(1R)-1-phenylethyl]amino}methyl)thiophen-2-yl]ethan-1-one
CID 25023812
N-benzyl-N-methyl-4-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 25023816
Acetamide, N-(3-trifluoromethylbenzyl)-2-(2-thienyl)-
CID 566340
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide (CID 59054325) is 3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide is O=C(NCCc1cccs1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide?
The InChIKey is BZMYKEYEQUPSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NOS/c15-11-7-9(6-10(8-11)14(16,17)18)13(20)19-4-3-12-2-1-5-21-12/h1-2,5-8H,3-4H2,(H,19,20).
What are the key properties of 3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide?
3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide has a molecular weight of 317.31 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 59054325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).