4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoyl]-1H-pyrrole-2-carboxamide

C14H11ClF3N3O2 — CID 5162204

IUPAC4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoyl]-1H-pyrrole-2-carboxamide
SMILESCC(C(=O)c1c[nH]c(C(N)=O)c1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11ClF3N3O2/c1-6(12(22)7-2-10(13(19)23)20-4-7)11-9(15)3-8(5-21-11)14(16,17)18/h2-6,20H,1H3,(H2,19,23)
InChIKeyWKFFAGRELRZYNN-UHFFFAOYSA-N
MW345.71 g/mol
LogP3.17
Rot. Bonds4

About 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoyl]-1H-pyrrole-2-carboxamide

4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoyl]-1H-pyrrole-2-carboxamide (PubChem CID 5162204) has the molecular formula C14H11ClF3N3O2 and a molecular weight of 345.71 g/mol. Its IUPAC name is 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoyl]-1H-pyrrole-2-carboxamide
PubChem CID5162204
Molecular FormulaC14H11ClF3N3O2
Molecular Weight345.71 g/mol
Exact Mass345.05
IUPAC Name4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoyl]-1H-pyrrole-2-carboxamide
SMILESCC(C(=O)c1c[nH]c(C(N)=O)c1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11ClF3N3O2/c1-6(12(22)7-2-10(13(19)23)20-4-7)11-9(15)3-8(5-21-11)14(16,17)18/h2-6,20H,1H3,(H2,19,23)
InChIKeyWKFFAGRELRZYNN-UHFFFAOYSA-N
XLogP3.17
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoyl]-1H-pyrrole-2-carboxamide (CID 5162204) is 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoyl]-1H-pyrrole-2-carboxamide is CC(C(=O)c1c[nH]c(C(N)=O)c1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoyl]-1H-pyrrole-2-carboxamide?
The InChIKey is WKFFAGRELRZYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O2/c1-6(12(22)7-2-10(13(19)23)20-4-7)11-9(15)3-8(5-21-11)14(16,17)18/h2-6,20H,1H3,(H2,19,23).
What are the key properties of 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoyl]-1H-pyrrole-2-carboxamide?
4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoyl]-1H-pyrrole-2-carboxamide has a molecular weight of 345.71 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanoyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 5162204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).