N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide

C14H17F3N2O — CID 61245229

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)10-19-7-6-11(9-19)8-18-13(20)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,18,20)
InChIKeyNMQSZWFHHBUVOM-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.30
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 61245229) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID61245229
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)10-19-7-6-11(9-19)8-18-13(20)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,18,20)
InChIKeyNMQSZWFHHBUVOM-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 94815305
2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazole-3-carboxamide
CID 139006521
2-amino-2-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide
CID 120595588
2-fluoro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 107358771
6-(dimethylamino)-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95591144
2-amino-3-phenyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propanamide;dihydrochloride
CID 119854666
4-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 81229419
1-benzyl-2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 110954003
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 63048022
5-nitro-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 94797186
3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 66484887
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-benzimidazole-4-carboxamide
CID 139011822

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide (CID 61245229) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide is O=C(NCC1CCN(CC(F)(F)F)C1)c1ccccc1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is NMQSZWFHHBUVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)10-19-7-6-11(9-19)8-18-13(20)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,18,20).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 286.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 61245229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).