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

C19H19F3N2O — CID 94080902

IUPAC(2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O/c1-13-6-4-7-14(12-13)17-10-5-11-24(17)18(25)23-16-9-3-2-8-15(16)19(20,21)22/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyKDMPCXBHEXHRGY-QGZVFWFLSA-N
MW348.37 g/mol
LogP5.38
Rot. Bonds2

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

(2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 94080902) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is (2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID94080902
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name(2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O/c1-13-6-4-7-14(12-13)17-10-5-11-24(17)18(25)23-16-9-3-2-8-15(16)19(20,21)22/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,23,25)/t17-/m1/s1
InChIKeyKDMPCXBHEXHRGY-QGZVFWFLSA-N
XLogP5.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.37
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897
N-(2-chlorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013090
(2R)-N-(2-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076725
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 50747165
(2S)-2-(3-ethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 95079971
N-[5-(ethylcarbamoyl)-2-methylthiophen-3-yl]-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 166252290
2-(5-methylthiophen-2-yl)-N-[2-(trifluoromethyl)phenyl]azepane-1-carboxamide
CID 22586911
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855870
(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
(2R)-N-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51856550
(2S)-N-(3-fluorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 93076892

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 94080902) is (2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is Cc1cccc([C@H]2CCCN2C(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of (2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is KDMPCXBHEXHRGY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-13-6-4-7-14(12-13)17-10-5-11-24(17)18(25)23-16-9-3-2-8-15(16)19(20,21)22/h2-4,6-9,12,17H,5,10-11H2,1H3,(H,23,25)/t17-/m1/s1.
What are the key properties of (2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
(2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 348.37 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94080902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).