N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C17H23F3N2O — CID 42825250

IUPACN-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CNCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O/c1-11(2)6-7-22-16(23)15-10-21-9-14(15)12-4-3-5-13(8-12)17(18,19)20/h3-5,8,11,14-15,21H,6-7,9-10H2,1-2H3,(H,22,23)
InChIKeyGXZIUWQTPCSRAU-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.17
Rot. Bonds5

About N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 42825250) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID42825250
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CNCC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H23F3N2O/c1-11(2)6-7-22-16(23)15-10-21-9-14(15)12-4-3-5-13(8-12)17(18,19)20/h3-5,8,11,14-15,21H,6-7,9-10H2,1-2H3,(H,22,23)
InChIKeyGXZIUWQTPCSRAU-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-N-(3-methylbutyl)-1-(2-methylpropanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149126
(3R,4S)-1-(3-methylbutanoyl)-N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149141
N-(3-methylbutyl)-1-propanoyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680382
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42680384
(3R,4S)-1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93149155
N-(3-aminobutyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119497155
N-methyl-N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42825255
N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 120650795
N-(2-pyrrolidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119535708
pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone
CID 42680057
N-benzyl-N-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 42825254
(3S,4S)-N-benzyl-1-(3-methylbutanoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 97478935

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 42825250) is N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is CC(C)CCNC(=O)C1CNCC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is GXZIUWQTPCSRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-11(2)6-7-22-16(23)15-10-21-9-14(15)12-4-3-5-13(8-12)17(18,19)20/h3-5,8,11,14-15,21H,6-7,9-10H2,1-2H3,(H,22,23).
What are the key properties of N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 42825250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).