1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide

C17H15ClF3N3O — CID 77437702

IUPAC1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)n1)C1CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3N3O/c18-11-6-8-12(9-7-11)24-10-2-3-13(24)16(25)23-15-5-1-4-14(22-15)17(19,20)21/h1,4-9,13H,2-3,10H2,(H,22,23,25)
InChIKeyIEHDHPWUKLEPRI-UHFFFAOYSA-N
MW369.77 g/mol
LogP4.36
Rot. Bonds3

About 1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide

1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 77437702) has the molecular formula C17H15ClF3N3O and a molecular weight of 369.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID77437702
Molecular FormulaC17H15ClF3N3O
Molecular Weight369.77 g/mol
Exact Mass369.09
IUPAC Name1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)n1)C1CCCN1c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF3N3O/c18-11-6-8-12(9-7-11)24-10-2-3-13(24)16(25)23-15-5-1-4-14(22-15)17(19,20)21/h1,4-9,13H,2-3,10H2,(H,22,23,25)
InChIKeyIEHDHPWUKLEPRI-UHFFFAOYSA-N
XLogP4.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.77
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide (CID 77437702) is 1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)n1)C1CCCN1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is IEHDHPWUKLEPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O/c18-11-6-8-12(9-7-11)24-10-2-3-13(24)16(25)23-15-5-1-4-14(22-15)17(19,20)21/h1,4-9,13H,2-3,10H2,(H,22,23,25).
What are the key properties of 1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 369.77 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 77437702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).