2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide

C13H9ClFNO2S — CID 75357568

IUPAC2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
SMILESO=C(CNC(=O)c1c(F)cccc1Cl)c1cccs1
InChIInChI=1S/C13H9ClFNO2S/c14-8-3-1-4-9(15)12(8)13(18)16-7-10(17)11-5-2-6-19-11/h1-6H,7H2,(H,16,18)
InChIKeyRMURWMKTJDYHQG-UHFFFAOYSA-N
MW297.74 g/mol
LogP3.15
Rot. Bonds4

About 2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide

2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide (PubChem CID 75357568) has the molecular formula C13H9ClFNO2S and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
PubChem CID75357568
Molecular FormulaC13H9ClFNO2S
Molecular Weight297.74 g/mol
Exact Mass297.00
IUPAC Name2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
SMILESO=C(CNC(=O)c1c(F)cccc1Cl)c1cccs1
InChIInChI=1S/C13H9ClFNO2S/c14-8-3-1-4-9(15)12(8)13(18)16-7-10(17)11-5-2-6-19-11/h1-6H,7H2,(H,16,18)
InChIKeyRMURWMKTJDYHQG-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 13105423
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide
CID 9150422
2-chloro-N-[2-(diethylamino)-2-thiophen-2-ylethyl]-6-fluorobenzamide
CID 112503956
5-chloro-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248868
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
2-chloro-6-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 121019313
benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 36949186
2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 121019111
N-[2-(2,6-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 110698088

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide (CID 75357568) is 2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide is O=C(CNC(=O)c1c(F)cccc1Cl)c1cccs1.
What is the InChIKey of 2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
The InChIKey is RMURWMKTJDYHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2S/c14-8-3-1-4-9(15)12(8)13(18)16-7-10(17)11-5-2-6-19-11/h1-6H,7H2,(H,16,18).
What are the key properties of 2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide has a molecular weight of 297.74 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 75357568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).