2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide

C14H11F4NOS — CID 79883708

IUPAC2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H11F4NOS/c1-19(7-9-5-6-21-8-9)13(20)10-3-2-4-11(12(10)15)14(16,17)18/h2-6,8H,7H2,1H3
InChIKeyMZJWJTUGWJYDEO-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.18
Rot. Bonds3

About 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide

2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 79883708) has the molecular formula C14H11F4NOS and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
PubChem CID79883708
Molecular FormulaC14H11F4NOS
Molecular Weight317.31 g/mol
Exact Mass317.05
IUPAC Name2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C14H11F4NOS/c1-19(7-9-5-6-21-8-9)13(20)10-3-2-4-11(12(10)15)14(16,17)18/h2-6,8H,7H2,1H3
InChIKeyMZJWJTUGWJYDEO-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 113386383
methyl 3-[[2-fluoro-3-(trifluoromethyl)benzoyl]-methylamino]propanoate
CID 71683330
2-fluoro-N-methyl-N-(2-methylsulfanylethyl)-3-(trifluoromethyl)benzamide
CID 112698072
5-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 60674455
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62733557
N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 112792620
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62167817
N-(cyclobutylmethyl)-2-fluoro-N-methyl-3-(trifluoromethyl)benzamide
CID 79886002
2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 103799855
N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 18117285
2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 113218973
2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 38710126

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide (CID 79883708) is 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide is CN(Cc1ccsc1)C(=O)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is MZJWJTUGWJYDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NOS/c1-19(7-9-5-6-21-8-9)13(20)10-3-2-4-11(12(10)15)14(16,17)18/h2-6,8H,7H2,1H3.
What are the key properties of 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide?
2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 317.31 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79883708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).