1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,4-difluorophenyl)pyrrole-2-carboxamide

C17H9ClF5N3O — CID 1479264

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,4-difluorophenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H9ClF5N3O/c18-11-6-9(17(21,22)23)8-24-15(11)26-5-1-2-14(26)16(27)25-13-4-3-10(19)7-12(13)20/h1-8H,(H,25,27)
InChIKeyRUSCLUWCOBYKFF-UHFFFAOYSA-N
MW401.72 g/mol
LogP5.07
Rot. Bonds3

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,4-difluorophenyl)pyrrole-2-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,4-difluorophenyl)pyrrole-2-carboxamide (PubChem CID 1479264) has the molecular formula C17H9ClF5N3O and a molecular weight of 401.72 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,4-difluorophenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,4-difluorophenyl)pyrrole-2-carboxamide
PubChem CID1479264
Molecular FormulaC17H9ClF5N3O
Molecular Weight401.72 g/mol
Exact Mass401.04
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,4-difluorophenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H9ClF5N3O/c18-11-6-9(17(21,22)23)8-24-15(11)26-5-1-2-14(26)16(27)25-13-4-3-10(19)7-12(13)20/h1-8H,(H,25,27)
InChIKeyRUSCLUWCOBYKFF-UHFFFAOYSA-N
XLogP5.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.72
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,4-difluorophenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,4-difluorophenyl)pyrrole-2-carboxamide (CID 1479264) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,4-difluorophenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,4-difluorophenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,4-difluorophenyl)pyrrole-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1cccn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,4-difluorophenyl)pyrrole-2-carboxamide?
The InChIKey is RUSCLUWCOBYKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF5N3O/c18-11-6-9(17(21,22)23)8-24-15(11)26-5-1-2-14(26)16(27)25-13-4-3-10(19)7-12(13)20/h1-8H,(H,25,27).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,4-difluorophenyl)pyrrole-2-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,4-difluorophenyl)pyrrole-2-carboxamide has a molecular weight of 401.72 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,4-difluorophenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 1479264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).