2-(2-chloro-6-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide

C15H15ClFNO2S — CID 72717940

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide
SMILESCOC(CNC(=O)Cc1c(F)cccc1Cl)c1ccsc1
InChIInChI=1S/C15H15ClFNO2S/c1-20-14(10-5-6-21-9-10)8-18-15(19)7-11-12(16)3-2-4-13(11)17/h2-6,9,14H,7-8H2,1H3,(H,18,19)
InChIKeyYKMSKKRKRULPPE-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.59
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide (PubChem CID 72717940) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide
PubChem CID72717940
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide
SMILESCOC(CNC(=O)Cc1c(F)cccc1Cl)c1ccsc1
InChIInChI=1S/C15H15ClFNO2S/c1-20-14(10-5-6-21-9-10)8-18-15(19)7-11-12(16)3-2-4-13(11)17/h2-6,9,14H,7-8H2,1H3,(H,18,19)
InChIKeyYKMSKKRKRULPPE-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-(2-hydroxy-2-(thiophen-3-yl)ethyl)benzamide
CID 52992615
2-Fluoro-N-[2-methoxy-2-(thiophen-3-YL)ethyl]benzamide
CID 71804735
2-(2-chloro-6-fluorophenyl)-N-(2-(thiophen-3-yl)ethyl)acetamide
CID 71806698
N-[2-methoxy-2-(thiophen-3-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 72717946
2-(2-chloro-6-fluorophenyl)-N-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]acetamide
CID 76147629
N-(2-(2-chlorophenyl)-2-methoxyethyl)-2-((4-fluorophenyl)thio)acetamide
CID 76149821
2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide
CID 91630976
2-(2-chloro-6-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]acetamide
CID 91631012
N-[(R)-2-methoxy-2-(3-thienyl)ethyl]2-chloro-4-fluorobenzamide
CID 97414427
N-[(S)-2-methoxy-2-(5-methyl-2-thienyl)ethyl]3-(o-fluorophenyl)propionamide
CID 97417492
N-[(R)-2-methoxy-2-(3-thienyl)ethyl]1-(p-fluorophenyl)cyclopropanecarboxamide
CID 97551115
N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl]1-(2-thienyl)cyclopentanecarboxamide
CID 97553429

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide (CID 72717940) is 2-(2-chloro-6-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide is COC(CNC(=O)Cc1c(F)cccc1Cl)c1ccsc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide?
The InChIKey is YKMSKKRKRULPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-20-14(10-5-6-21-9-10)8-18-15(19)7-11-12(16)3-2-4-13(11)17/h2-6,9,14H,7-8H2,1H3,(H,18,19).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide has a molecular weight of 327.81 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 72717940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).