N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C14H18ClF3N2O2 — CID 119345493

IUPACN-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1CCCN1.Cl
InChIInChI=1S/C14H17F3N2O2.ClH/c1-19(13(20)12-6-3-7-18-12)9-10-4-2-5-11(8-10)21-14(15,16)17;/h2,4-5,8,12,18H,3,6-7,9H2,1H3;1H
InChIKeyNHOSMQQEQWHHBU-UHFFFAOYSA-N
MW338.76 g/mol
LogP2.72
Rot. Bonds4

About N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119345493) has the molecular formula C14H18ClF3N2O2 and a molecular weight of 338.76 g/mol. Its IUPAC name is N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119345493
Molecular FormulaC14H18ClF3N2O2
Molecular Weight338.76 g/mol
Exact Mass338.10
IUPAC NameN-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1CCCN1.Cl
InChIInChI=1S/C14H17F3N2O2.ClH/c1-19(13(20)12-6-3-7-18-12)9-10-4-2-5-11(8-10)21-14(15,16)17;/h2,4-5,8,12,18H,3,6-7,9H2,1H3;1H
InChIKeyNHOSMQQEQWHHBU-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119345501
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2R)-N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104900946
(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717187
9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992602
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
(2S,5R)-5-(aminomethyl)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796619
(2S)-N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 61165078
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119272234
(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61155587
(1R,2R,4R)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98793069

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119345493) is N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is CN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1CCCN1.Cl.
What is the InChIKey of N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is NHOSMQQEQWHHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2.ClH/c1-19(13(20)12-6-3-7-18-12)9-10-4-2-5-11(8-10)21-14(15,16)17;/h2,4-5,8,12,18H,3,6-7,9H2,1H3;1H.
What are the key properties of N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 338.76 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119345493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).