N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide

C14H17F3N2O — CID 60806173

IUPACN-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide
SMILESCCN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCNC1
InChIInChI=1S/C14H17F3N2O/c1-2-19(12-7-8-18-9-12)13(20)10-3-5-11(6-4-10)14(15,16)17/h3-6,12,18H,2,7-9H2,1H3
InChIKeyXFOGGKLCOCUCPC-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.53
Rot. Bonds3

About N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide

N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide (PubChem CID 60806173) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide
PubChem CID60806173
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide
SMILESCCN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCNC1
InChIInChI=1S/C14H17F3N2O/c1-2-19(12-7-8-18-9-12)13(20)10-3-5-11(6-4-10)14(15,16)17/h3-6,12,18H,2,7-9H2,1H3
InChIKeyXFOGGKLCOCUCPC-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-piperidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909185
N-propyl-N-pyrrolidin-3-yl-3,5-bis(trifluoromethyl)benzamide
CID 119531195
N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806005
4-chloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 54923441
N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737122
N-ethyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 63299166
3-bromo-N-ethyl-5-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299650
4-ethoxy-N-ethyl-N-piperidin-3-ylbenzamide
CID 60807243
N-ethyl-N-piperidin-4-yl-4-propan-2-ylbenzamide
CID 60805737
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 11210227
N-propyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119532019

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide (CID 60806173) is N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide is CCN(C(=O)c1ccc(C(F)(F)F)cc1)C1CCNC1.
What is the InChIKey of N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide?
The InChIKey is XFOGGKLCOCUCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-2-19(12-7-8-18-9-12)13(20)10-3-5-11(6-4-10)14(15,16)17/h3-6,12,18H,2,7-9H2,1H3.
What are the key properties of N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide?
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide has a molecular weight of 286.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 60806173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).