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

C14H18ClF3N2O2 — CID 119315216

IUPACN-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1c(NC(=O)C2CCCN2)cccc1OCC(F)(F)F.Cl
InChIInChI=1S/C14H17F3N2O2.ClH/c1-9-10(19-13(20)11-5-3-7-18-11)4-2-6-12(9)21-8-14(15,16)17;/h2,4,6,11,18H,3,5,7-8H2,1H3,(H,19,20);1H
InChIKeyBJQZEVPWMSWCDW-UHFFFAOYSA-N
MW338.76 g/mol
LogP3.05
Rot. Bonds4

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

N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119315216) has the molecular formula C14H18ClF3N2O2 and a molecular weight of 338.76 g/mol. Its IUPAC name is N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119315216
Molecular FormulaC14H18ClF3N2O2
Molecular Weight338.76 g/mol
Exact Mass338.10
IUPAC NameN-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1c(NC(=O)C2CCCN2)cccc1OCC(F)(F)F.Cl
InChIInChI=1S/C14H17F3N2O2.ClH/c1-9-10(19-13(20)11-5-3-7-18-11)4-2-6-12(9)21-8-14(15,16)17;/h2,4,6,11,18H,3,5,7-8H2,1H3,(H,19,20);1H
InChIKeyBJQZEVPWMSWCDW-UHFFFAOYSA-N
XLogP3.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.76
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide
CID 119315217
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide
CID 119315223
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide
CID 119315211
N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281809
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 18072094
(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 103794811
2-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]phenoxy]acetic acid
CID 104901156
(2R)-N-[3-methoxy-2-[2-methoxy-6-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 102160795
(2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119698605
(2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide
CID 93360502

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119315216) is N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride is Cc1c(NC(=O)C2CCCN2)cccc1OCC(F)(F)F.Cl.
What is the InChIKey of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is BJQZEVPWMSWCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2.ClH/c1-9-10(19-13(20)11-5-3-7-18-11)4-2-6-12(9)21-8-14(15,16)17;/h2,4,6,11,18H,3,5,7-8H2,1H3,(H,19,20);1H.
What are the key properties of N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 338.76 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119315216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).