1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

C17H21F3N2O2 — CID 60531568

IUPAC1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C17H21F3N2O2/c1-3-5-15(23)22-9-4-6-14(22)16(24)21-12-8-7-11(2)13(10-12)17(18,19)20/h7-8,10,14H,3-6,9H2,1-2H3,(H,21,24)
InChIKeyIVILKMCDJGGKFA-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.74
Rot. Bonds4

About 1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 60531568) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID60531568
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C17H21F3N2O2/c1-3-5-15(23)22-9-4-6-14(22)16(24)21-12-8-7-11(2)13(10-12)17(18,19)20/h7-8,10,14H,3-6,9H2,1-2H3,(H,21,24)
InChIKeyIVILKMCDJGGKFA-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1-butanoylpyrrolidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 119255170
1-(cyclohexanecarbonyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 55741414
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
ethyl 3-[(1-butanoylpyrrolidine-2-carbonyl)amino]benzoate
CID 60528914
3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-fluorobenzoic acid
CID 129414607
1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 60546086
4-[[1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]amino]-2-methylbenzoic acid
CID 119240410
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 42702695
(2S)-1-(2-formamidoacetyl)-N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]pyrrolidine-2-carboxamide
CID 25108525
(2R)-N-(3,4-dimethylphenyl)-1-(4-ethylbenzoyl)pyrrolidine-2-carboxamide
CID 52904723

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 60531568) is 1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is CCCC(=O)N1CCCC1C(=O)Nc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of 1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is IVILKMCDJGGKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-3-5-15(23)22-9-4-6-14(22)16(24)21-12-8-7-11(2)13(10-12)17(18,19)20/h7-8,10,14H,3-6,9H2,1-2H3,(H,21,24).
What are the key properties of 1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60531568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).