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

C14H16ClF3N2O — CID 83062907

IUPACN-[2-chloro-6-(trifluoromethyl)phenyl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2c(Cl)cccc2C(F)(F)F)CCCN1
InChIInChI=1S/C14H16ClF3N2O/c1-2-13(7-4-8-19-13)12(21)20-11-9(14(16,17)18)5-3-6-10(11)15/h3,5-6,19H,2,4,7-8H2,1H3,(H,20,21)
InChIKeyYZCRPJZJBHQMOC-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.83
Rot. Bonds3

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

N-[2-chloro-6-(trifluoromethyl)phenyl]-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83062907) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-ethylpyrrolidine-2-carboxamide
PubChem CID83062907
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC NameN-[2-chloro-6-(trifluoromethyl)phenyl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2c(Cl)cccc2C(F)(F)F)CCCN1
InChIInChI=1S/C14H16ClF3N2O/c1-2-13(7-4-8-19-13)12(21)20-11-9(14(16,17)18)5-3-6-10(11)15/h3,5-6,19H,2,4,7-8H2,1H3,(H,20,21)
InChIKeyYZCRPJZJBHQMOC-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071716
N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide
CID 63138744
2-ethyl-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 83080160
N-(5-chloro-1,3-benzothiazol-4-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83072254
2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 83072170
N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080071
N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071591
N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107679774
2-ethyl-N-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 83079717
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
N-(2,3-dichlorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974147
2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 83079723

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-ethylpyrrolidine-2-carboxamide (CID 83062907) is N-[2-chloro-6-(trifluoromethyl)phenyl]-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)Nc2c(Cl)cccc2C(F)(F)F)CCCN1.
What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is YZCRPJZJBHQMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c1-2-13(7-4-8-19-13)12(21)20-11-9(14(16,17)18)5-3-6-10(11)15/h3,5-6,19H,2,4,7-8H2,1H3,(H,20,21).
What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]-2-ethylpyrrolidine-2-carboxamide?
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 320.74 g/mol, XLogP of 3.83, 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]-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83062907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).