4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide

C13H9Cl2F3N2OS — CID 19068777

IUPAC4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide
SMILESCN(C)C(=O)c1c(Cl)csc1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H9Cl2F3N2OS/c1-20(2)12(21)9-8(15)5-22-11(9)10-7(14)3-6(4-19-10)13(16,17)18/h3-5H,1-2H3
InChIKeyPLPORSKCCIQEPO-UHFFFAOYSA-N
MW369.20 g/mol
LogP4.84
Rot. Bonds2

About 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide

4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide (PubChem CID 19068777) has the molecular formula C13H9Cl2F3N2OS and a molecular weight of 369.20 g/mol. Its IUPAC name is 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide
PubChem CID19068777
Molecular FormulaC13H9Cl2F3N2OS
Molecular Weight369.20 g/mol
Exact Mass367.98
IUPAC Name4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide
SMILESCN(C)C(=O)c1c(Cl)csc1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H9Cl2F3N2OS/c1-20(2)12(21)9-8(15)5-22-11(9)10-7(14)3-6(4-19-10)13(16,17)18/h3-5H,1-2H3
InChIKeyPLPORSKCCIQEPO-UHFFFAOYSA-N
XLogP4.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-1-(5-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thienyl)-1-ethanone
CID 1474328
1-(5-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thienyl)-1-ethanone
CID 1487180
5-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thiophenecarboxamide
CID 1487186
2-(5-Chloro-3-pyridinyl)-1-thiophen-2-ylethanone
CID 44445980
2-chloro-4-fluoro-N-((2-(thiophen-3-yl)pyridin-3-yl)methyl)benzamide
CID 91630184
2-chloro-4-fluoro-N-((2-(thiophen-2-yl)pyridin-4-yl)methyl)benzamide
CID 91630327
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(3-thienyl)acetamide
CID 3702182
N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]phenyl]-3-methylthiophene-2-carboxamide
CID 11567439
3-Chloro-2-(4-chloro-3-methylthiophen-2-yl)-5-(trifluoromethyl)pyridine
CID 19068735
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 59672787
4-(3-chloro-2-pyridinyl)-3-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 59673633
N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-phenylethyl]-3-iodothiophene-2-carboxamide
CID 66798027

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide?
The IUPAC name of 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide (CID 19068777) is 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide?
The canonical SMILES for 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide is CN(C)C(=O)c1c(Cl)csc1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide?
The InChIKey is PLPORSKCCIQEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2OS/c1-20(2)12(21)9-8(15)5-22-11(9)10-7(14)3-6(4-19-10)13(16,17)18/h3-5H,1-2H3.
What are the key properties of 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide?
4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide has a molecular weight of 369.20 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 19068777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).