N-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C17H21F3N2O2 — CID 110343928

IUPACN-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C17H21F3N2O2/c1-10(2)12-7-4-6-11(3)14(12)21-15(23)13-8-5-9-22(13)16(24)17(18,19)20/h4,6-7,10,13H,5,8-9H2,1-3H3,(H,21,23)
InChIKeyNOWBIYUERQULKY-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.61
Rot. Bonds3

About N-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

N-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 110343928) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID110343928
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C17H21F3N2O2/c1-10(2)12-7-4-6-11(3)14(12)21-15(23)13-8-5-9-22(13)16(24)17(18,19)20/h4,6-7,10,13H,5,8-9H2,1-3H3,(H,21,23)
InChIKeyNOWBIYUERQULKY-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 110754548
N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093475
tert-butyl (2S)-2-[(2,6-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797692
(2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443541
N-(2-methyl-6-propan-2-ylphenyl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110341696
4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149581
N-(4-pyrrolidin-1-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343971
N-(2-chlorophenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343933
3-methyl-N-(2-methyl-6-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47195287
methyl 4-[[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 110343966
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 165362024
N-(2-methyl-6-propan-2-ylphenyl)piperidine-2-carboxamide
CID 10730082

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 110343928) is N-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is Cc1cccc(C(C)C)c1NC(=O)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is NOWBIYUERQULKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-10(2)12-7-4-6-11(3)14(12)21-15(23)13-8-5-9-22(13)16(24)17(18,19)20/h4,6-7,10,13H,5,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
N-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110343928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).