2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide

C14H12Cl2FNO2S — CID 91630976

IUPAC2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide
SMILESCOC(CNC(=O)c1c(F)cccc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C14H12Cl2FNO2S/c1-20-10(11-5-6-12(16)21-11)7-18-14(19)13-8(15)3-2-4-9(13)17/h2-6,10H,7H2,1H3,(H,18,19)
InChIKeyMQVAIBAVXOVHIY-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.31
Rot. Bonds5

About 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide

2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide (PubChem CID 91630976) has the molecular formula C14H12Cl2FNO2S and a molecular weight of 348.23 g/mol. Its IUPAC name is 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide
PubChem CID91630976
Molecular FormulaC14H12Cl2FNO2S
Molecular Weight348.23 g/mol
Exact Mass346.99
IUPAC Name2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide
SMILESCOC(CNC(=O)c1c(F)cccc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C14H12Cl2FNO2S/c1-20-10(11-5-6-12(16)21-11)7-18-14(19)13-8(15)3-2-4-9(13)17/h2-6,10H,7H2,1H3,(H,18,19)
InChIKeyMQVAIBAVXOVHIY-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide (CID 91630976) is 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide is COC(CNC(=O)c1c(F)cccc1Cl)c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide?
The InChIKey is MQVAIBAVXOVHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO2S/c1-20-10(11-5-6-12(16)21-11)7-18-14(19)13-8(15)3-2-4-9(13)17/h2-6,10H,7H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide?
2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide has a molecular weight of 348.23 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-6-fluorobenzamide is sourced from PubChem (CID 91630976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).