4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide

C13H15F3N2O2 — CID 62347502

IUPAC4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(OCC2CCCN2)cc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)11-6-9(3-4-10(11)12(17)19)20-7-8-2-1-5-18-8/h3-4,6,8,18H,1-2,5,7H2,(H2,17,19)
InChIKeyIDCQRDAWOIIWBP-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.94
Rot. Bonds4

About 4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide

4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide (PubChem CID 62347502) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide
PubChem CID62347502
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(OCC2CCCN2)cc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)11-6-9(3-4-10(11)12(17)19)20-7-8-2-1-5-18-8/h3-4,6,8,18H,1-2,5,7H2,(H2,17,19)
InChIKeyIDCQRDAWOIIWBP-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-nitro-3-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 62348337
4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)benzonitrile
CID 62349150
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 69001620
2-methyl-4-(2-piperidin-2-ylethoxy)benzamide
CID 81276506
N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide
CID 69016004
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220
(2R)-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 68998882
(4-bromophenyl)-[4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]methanone
CID 151594530

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide (CID 62347502) is 4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide is NC(=O)c1ccc(OCC2CCCN2)cc1C(F)(F)F.
What is the InChIKey of 4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide?
The InChIKey is IDCQRDAWOIIWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)11-6-9(3-4-10(11)12(17)19)20-7-8-2-1-5-18-8/h3-4,6,8,18H,1-2,5,7H2,(H2,17,19).
What are the key properties of 4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide?
4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide has a molecular weight of 288.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-2-ylmethoxy)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 62347502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).