2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide

C14H14FNO2S — CID 71804735

IUPAC2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
SMILESCOC(CNC(=O)c1ccccc1F)c1ccsc1
InChIInChI=1S/C14H14FNO2S/c1-18-13(10-6-7-19-9-10)8-16-14(17)11-4-2-3-5-12(11)15/h2-7,9,13H,8H2,1H3,(H,16,17)
InChIKeyLRXBOEKYXUAOLE-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.00
Rot. Bonds5

About 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide

2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide (PubChem CID 71804735) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
PubChem CID71804735
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC Name2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
SMILESCOC(CNC(=O)c1ccccc1F)c1ccsc1
InChIInChI=1S/C14H14FNO2S/c1-18-13(10-6-7-19-9-10)8-16-14(17)11-4-2-3-5-12(11)15/h2-7,9,13H,8H2,1H3,(H,16,17)
InChIKeyLRXBOEKYXUAOLE-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
2-Oxo-2-[(thiophen-2-ylmethyl)amino]ethyl 2-methylbenzoate
CID 2480348
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2,6-difluorobenzoate
CID 2481084
[1-(4-Fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3220334
2-(Benzylamino)-2-oxoethyl 3-methylthiophene-2-carboxylate
CID 3266695
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 8630918
Benzyl 2-[(3-methylthiophene-2-carbonyl)amino]acetate
CID 24819879
2-(Benzylamino)-2-oxoethyl thiophene-2-carboxylate
CID 2355161
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 3,5-dimethylbenzoate
CID 2481081
(4-Fluorophenyl)methyl 2-[2-(thiophen-2-ylformamido)acetamido]acetate
CID 3158551
methyl 4-({[N-(2-thienylcarbonyl)glycyl]oxy}methyl)benzoate
CID 894944
[2-[(4-Methoxycarbonylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2359361

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide (CID 71804735) is 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide is COC(CNC(=O)c1ccccc1F)c1ccsc1.
What is the InChIKey of 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
The InChIKey is LRXBOEKYXUAOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-18-13(10-6-7-19-9-10)8-16-14(17)11-4-2-3-5-12(11)15/h2-7,9,13H,8H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 71804735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).