N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide

C15H19F3N2O — CID 71304903

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESCCN1CCCC1CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-2-20-9-5-6-11(20)10-19-14(21)12-7-3-4-8-13(12)15(16,17)18/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,21)
InChIKeyTXXPEXGQCOTSSC-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.92
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 71304903) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID71304903
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESCCN1CCCC1CNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-2-20-9-5-6-11(20)10-19-14(21)12-7-3-4-8-13(12)15(16,17)18/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,21)
InChIKeyTXXPEXGQCOTSSC-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 99883062
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 107358520
N-[[(2R)-1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 99874598
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-hydroxy-2-methoxybenzamide
CID 52947113
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzamide
CID 47007650
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-benzodioxole-4-carboxamide
CID 54166911
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 70549576
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(5-methyltetrazol-1-yl)benzamide
CID 71703495

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide (CID 71304903) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide is CCN1CCCC1CNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is TXXPEXGQCOTSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-2-20-9-5-6-11(20)10-19-14(21)12-7-3-4-8-13(12)15(16,17)18/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,21).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 300.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 71304903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).