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

C17H15ClF3N3O — CID 67953289

IUPAC(2S)-1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)n1)[C@@H]1CCCN1c1ccc(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)/t13-/m0/s1
InChIKeyIEHDHPWUKLEPRI-ZDUSSCGKSA-N
MW369.77 g/mol
LogP4.36
Rot. Bonds3

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

(2S)-1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 67953289) has the molecular formula C17H15ClF3N3O and a molecular weight of 369.77 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID67953289
Molecular FormulaC17H15ClF3N3O
Molecular Weight369.77 g/mol
Exact Mass369.09
IUPAC Name(2S)-1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)n1)[C@@H]1CCCN1c1ccc(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)/t13-/m0/s1
InChIKeyIEHDHPWUKLEPRI-ZDUSSCGKSA-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 (2S)-1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide (CID 67953289) is (2S)-1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)n1)[C@@H]1CCCN1c1ccc(Cl)cc1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is IEHDHPWUKLEPRI-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
(2S)-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 (2S)-1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67953289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).