2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide

C15H14Cl2FNO2S — CID 55397253

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14Cl2FNO2S/c1-2-19(8-11-4-6-14(17)22-11)15(20)9-21-10-3-5-13(18)12(16)7-10/h3-7H,2,8-9H2,1H3
InChIKeyLTCPSUMNXYFALD-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.62
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide

2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide (PubChem CID 55397253) has the molecular formula C15H14Cl2FNO2S and a molecular weight of 362.25 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
PubChem CID55397253
Molecular FormulaC15H14Cl2FNO2S
Molecular Weight362.25 g/mol
Exact Mass361.01
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14Cl2FNO2S/c1-2-19(8-11-4-6-14(17)22-11)15(20)9-21-10-3-5-13(18)12(16)7-10/h3-7H,2,8-9H2,1H3
InChIKeyLTCPSUMNXYFALD-UHFFFAOYSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3-chloro-4-fluorophenoxy)-N-ethylacetamide
CID 112778759
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-nitrophenoxy)acetamide
CID 78792180
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 9337841
3-(2-chloro-4-methoxyphenyl)-1-[(5-chlorothiophen-2-yl)methyl]-1-ethylurea
CID 86862833
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 9010975
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide
CID 78791448
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide
CID 112811138
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 134002588
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,6-difluorobenzamide
CID 79757915

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide (CID 55397253) is 2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide is CCN(Cc1ccc(Cl)s1)C(=O)COc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide?
The InChIKey is LTCPSUMNXYFALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO2S/c1-2-19(8-11-4-6-14(17)22-11)15(20)9-21-10-3-5-13(18)12(16)7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide?
2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide has a molecular weight of 362.25 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide is sourced from PubChem (CID 55397253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).