N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide

C14H16ClF3N2O — CID 63138744

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2c(Cl)cccc2C(F)(F)F)CCNC1
InChIInChI=1S/C14H16ClF3N2O/c1-2-13(6-7-19-8-13)12(21)20-11-9(14(16,17)18)4-3-5-10(11)15/h3-5,19H,2,6-8H2,1H3,(H,20,21)
InChIKeyJQHIMJDLXTUXOK-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.69
Rot. Bonds3

About N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide

N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide (PubChem CID 63138744) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide
PubChem CID63138744
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2c(Cl)cccc2C(F)(F)F)CCNC1
InChIInChI=1S/C14H16ClF3N2O/c1-2-13(6-7-19-8-13)12(21)20-11-9(14(16,17)18)4-3-5-10(11)15/h3-5,19H,2,6-8H2,1H3,(H,20,21)
InChIKeyJQHIMJDLXTUXOK-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide (CID 63138744) is N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)Nc2c(Cl)cccc2C(F)(F)F)CCNC1.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is JQHIMJDLXTUXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c1-2-13(6-7-19-8-13)12(21)20-11-9(14(16,17)18)4-3-5-10(11)15/h3-5,19H,2,6-8H2,1H3,(H,20,21).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 320.74 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63138744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).