N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C15H19F3N2O — CID 63708224

IUPACN-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C15H19F3N2O/c1-2-20(10-12-6-4-3-5-7-12)13(21)14(15(16,17)18)8-9-19-11-14/h3-7,19H,2,8-11H2,1H3
InChIKeySVMIJAWDESWDAC-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.58
Rot. Bonds4

About N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708224) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708224
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C15H19F3N2O/c1-2-20(10-12-6-4-3-5-7-12)13(21)14(15(16,17)18)8-9-19-11-14/h3-7,19H,2,8-11H2,1H3
InChIKeySVMIJAWDESWDAC-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-methoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227468
2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 63722046
N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide
CID 63130370
N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708787
N-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709306
N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710571
2-[ethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 63720094
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708749
N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709337
N-[2-(methylamino)-2-oxoethyl]-N-propyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710228
N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 167757145

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708224) is N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCN(Cc1ccccc1)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is SVMIJAWDESWDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-2-20(10-12-6-4-3-5-7-12)13(21)14(15(16,17)18)8-9-19-11-14/h3-7,19H,2,8-11H2,1H3.
What are the key properties of N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).