N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide

C15H19F3N2O — CID 119294903

IUPACN-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(Cc1ccc(C(F)(F)F)cc1)NC(=O)C1CCCN1
InChIInChI=1S/C15H19F3N2O/c1-10(20-14(21)13-3-2-8-19-13)9-11-4-6-12(7-5-11)15(16,17)18/h4-7,10,13,19H,2-3,8-9H2,1H3,(H,20,21)
InChIKeyUETZINHOJFSXEK-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.50
Rot. Bonds4

About N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide

N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 119294903) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
PubChem CID119294903
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(Cc1ccc(C(F)(F)F)cc1)NC(=O)C1CCCN1
InChIInChI=1S/C15H19F3N2O/c1-10(20-14(21)13-3-2-8-19-13)9-11-4-6-12(7-5-11)15(16,17)18/h4-7,10,13,19H,2-3,8-9H2,1H3,(H,20,21)
InChIKeyUETZINHOJFSXEK-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645
(2R,4S)-4-hydroxy-N-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 125138913
(2S,4S)-4-hydroxy-N-[(2R)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 125152598
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 96510056
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119341100
(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61178552
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 119319806
9-amino-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989623
(2R)-N-[(2R)-4-(3,4-difluorophenyl)butan-2-yl]pyrrolidine-2-carboxamide
CID 100642737
N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119298778

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide (CID 119294903) is N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide is CC(Cc1ccc(C(F)(F)F)cc1)NC(=O)C1CCCN1.
What is the InChIKey of N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is UETZINHOJFSXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10(20-14(21)13-3-2-8-19-13)9-11-4-6-12(7-5-11)15(16,17)18/h4-7,10,13,19H,2-3,8-9H2,1H3,(H,20,21).
What are the key properties of N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide?
N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119294903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).