1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C19H17F3N2O2 — CID 18885960

IUPAC1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O
InChIInChI=1S/C19H17F3N2O2/c1-12-5-2-3-8-16(12)24-11-13(9-17(24)25)18(26)23-15-7-4-6-14(10-15)19(20,21)22/h2-8,10,13H,9,11H2,1H3,(H,23,26)
InChIKeyWDMNHMKYCCKFPT-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.01
Rot. Bonds3

About 1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 18885960) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID18885960
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O
InChIInChI=1S/C19H17F3N2O2/c1-12-5-2-3-8-16(12)24-11-13(9-17(24)25)18(26)23-15-7-4-6-14(10-15)19(20,21)22/h2-8,10,13H,9,11H2,1H3,(H,23,26)
InChIKeyWDMNHMKYCCKFPT-UHFFFAOYSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 18885960) is 1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is Cc1ccccc1N1CC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O.
What is the InChIKey of 1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is WDMNHMKYCCKFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-12-5-2-3-8-16(12)24-11-13(9-17(24)25)18(26)23-15-7-4-6-14(10-15)19(20,21)22/h2-8,10,13H,9,11H2,1H3,(H,23,26).
What are the key properties of 1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 362.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 18885960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).