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

C21H20F6N2O — CID 146095172

IUPAC2-methyl-N-[3-(trifluoromethyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCC1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H20F6N2O/c1-19(13-14-6-2-3-9-17(14)21(25,26)27)10-5-11-29(19)18(30)28-16-8-4-7-15(12-16)20(22,23)24/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,28,30)
InChIKeyRGIBOPCJHVWLMN-UHFFFAOYSA-N
MW430.39 g/mol
LogP6.35
Rot. Bonds3

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

2-methyl-N-[3-(trifluoromethyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 146095172) has the molecular formula C21H20F6N2O and a molecular weight of 430.39 g/mol. Its IUPAC name is 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(trifluoromethyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID146095172
Molecular FormulaC21H20F6N2O
Molecular Weight430.39 g/mol
Exact Mass430.15
IUPAC Name2-methyl-N-[3-(trifluoromethyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCC1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H20F6N2O/c1-19(13-14-6-2-3-9-17(14)21(25,26)27)10-5-11-29(19)18(30)28-16-8-4-7-15(12-16)20(22,23)24/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,28,30)
InChIKeyRGIBOPCJHVWLMN-UHFFFAOYSA-N
XLogP6.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.39
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-acetyl-N-[3-(trifluoromethyl)phenyl]diazinane-1-carboxamide
CID 139071679
[2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-8-yl)methanone
CID 166272083
(4R,5R)-4-methoxy-N-[3-(trifluoromethyl)phenyl]-7-azaspiro[4.5]decane-7-carboxamide
CID 135102269
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781
ethyl 2-[[3-(trifluoromethyl)phenyl]carbamoyl]diazinane-1-carboxylate
CID 12721841
1-acetyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39888148
2-oxo-N-[3-(trifluoromethyl)phenyl]-3-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazepine-8-carboxamide
CID 71447413
4-methyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 46382952
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
4-ethyl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide
CID 7165092
2-oxo-N-[3-(trifluoromethyl)phenyl]-3-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazepine-7-carboxamide
CID 71447513
N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 22614394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide (CID 146095172) is 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide is CC1(Cc2ccccc2C(F)(F)F)CCCN1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is RGIBOPCJHVWLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F6N2O/c1-19(13-14-6-2-3-9-17(14)21(25,26)27)10-5-11-29(19)18(30)28-16-8-4-7-15(12-16)20(22,23)24/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,28,30).
What are the key properties of 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide?
2-methyl-N-[3-(trifluoromethyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 6.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(trifluoromethyl)phenyl]-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 146095172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).