5-chloro-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide

C17H15ClF3N3O2 — CID 71866311

IUPAC5-chloro-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1nn(C)c(C)c1C(NC(=O)c1cc2cc(Cl)ccc2o1)C(F)(F)F
InChIInChI=1S/C17H15ClF3N3O2/c1-8-14(9(2)24(3)23-8)15(17(19,20)21)22-16(25)13-7-10-6-11(18)4-5-12(10)26-13/h4-7,15H,1-3H3,(H,22,25)
InChIKeyFTZNEMPTMNKISB-UHFFFAOYSA-N
MW385.77 g/mol
LogP4.47
Rot. Bonds3

About 5-chloro-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide

5-chloro-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 71866311) has the molecular formula C17H15ClF3N3O2 and a molecular weight of 385.77 g/mol. Its IUPAC name is 5-chloro-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID71866311
Molecular FormulaC17H15ClF3N3O2
Molecular Weight385.77 g/mol
Exact Mass385.08
IUPAC Name5-chloro-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1nn(C)c(C)c1C(NC(=O)c1cc2cc(Cl)ccc2o1)C(F)(F)F
InChIInChI=1S/C17H15ClF3N3O2/c1-8-14(9(2)24(3)23-8)15(17(19,20)21)22-16(25)13-7-10-6-11(18)4-5-12(10)26-13/h4-7,15H,1-3H3,(H,22,25)
InChIKeyFTZNEMPTMNKISB-UHFFFAOYSA-N
XLogP4.47
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.77
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide (CID 71866311) is 5-chloro-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide is Cc1nn(C)c(C)c1C(NC(=O)c1cc2cc(Cl)ccc2o1)C(F)(F)F.
What is the InChIKey of 5-chloro-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is FTZNEMPTMNKISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O2/c1-8-14(9(2)24(3)23-8)15(17(19,20)21)22-16(25)13-7-10-6-11(18)4-5-12(10)26-13/h4-7,15H,1-3H3,(H,22,25).
What are the key properties of 5-chloro-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 385.77 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71866311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).