2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide

C14H14FNO2S — CID 113218973

IUPAC2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccsc2)c(F)c1
InChIInChI=1S/C14H14FNO2S/c1-16(8-10-5-6-19-9-10)14(17)12-4-3-11(18-2)7-13(12)15/h3-7,9H,8H2,1-2H3
InChIKeyYIFMVTRUWLIKQI-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.17
Rot. Bonds4

About 2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide

2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 113218973) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID113218973
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccsc2)c(F)c1
InChIInChI=1S/C14H14FNO2S/c1-16(8-10-5-6-19-9-10)14(17)12-4-3-11(18-2)7-13(12)15/h3-7,9H,8H2,1-2H3
InChIKeyYIFMVTRUWLIKQI-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 30604031
5-chloro-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 60674455
N-(2-aminopropyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885366
2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide
CID 113234175
N-[(2-bromophenyl)methyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 55379395
2-fluoro-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747382
N-(2-bromo-3-methoxypropyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885157
(2-fluoro-4-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9181646
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214
4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62678324
2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 86978699
N-[(4-bromothiophen-2-yl)methyl]-2-hydroxy-4-methoxy-N-methylbenzamide
CID 60784042

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide (CID 113218973) is 2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide is COc1ccc(C(=O)N(C)Cc2ccsc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is YIFMVTRUWLIKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-16(8-10-5-6-19-9-10)14(17)12-4-3-11(18-2)7-13(12)15/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 113218973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).