N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide

C15H19F3N2O — CID 175740538

IUPACN-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCC1CCCN1CCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O/c1-11-4-3-8-20(11)9-7-19-14(21)12-5-2-6-13(10-12)15(16,17)18/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,19,21)
InChIKeyXKKISLJZFIFVAO-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.92
Rot. Bonds4

About N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide

N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 175740538) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID175740538
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCC1CCCN1CCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O/c1-11-4-3-8-20(11)9-7-19-14(21)12-5-2-6-13(10-12)15(16,17)18/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,19,21)
InChIKeyXKKISLJZFIFVAO-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-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 141274805
3-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 119850953
N-[3-(2-methylpiperidin-1-yl)propyl]-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 46113866
2-chloro-N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 143551121
3-(3-hydroxy-3-methylbutyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzamide
CID 95896352
N-[3-(cyclopropylamino)propyl]-3-(trifluoromethyl)benzamide
CID 43596552
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
2,3-bis(3-methylphenyl)-N-[2-(2-methylpiperidin-1-yl)ethyl]quinoxaline-6-carboxamide
CID 22588120
3-cyano-N-[3-(2-methylpiperidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
CID 3454281
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 121139270
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide (CID 175740538) is N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide is CC1CCCN1CCNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is XKKISLJZFIFVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-11-4-3-8-20(11)9-7-19-14(21)12-5-2-6-13(10-12)15(16,17)18/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide?
N-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(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-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 175740538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).