N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C15H19F3N2O — CID 63708787

IUPACN-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(N(C)C(=O)C2(C(F)(F)F)CCNC2)cc1
InChIInChI=1S/C15H19F3N2O/c1-3-11-4-6-12(7-5-11)20(2)13(21)14(15(16,17)18)8-9-19-10-14/h4-7,19H,3,8-10H2,1-2H3
InChIKeyNICOZDVGSPXCLT-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.75
Rot. Bonds3

About N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708787) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708787
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(N(C)C(=O)C2(C(F)(F)F)CCNC2)cc1
InChIInChI=1S/C15H19F3N2O/c1-3-11-4-6-12(7-5-11)20(2)13(21)14(15(16,17)18)8-9-19-10-14/h4-7,19H,3,8-10H2,1-2H3
InChIKeyNICOZDVGSPXCLT-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708224
N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227271
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79380351
N-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709306
3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]propan-1-one
CID 116572753
2-[ethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 63720094
N-propyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710571
N-(4-ethylphenyl)-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106975067
2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 63722046
3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 63140580
N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706051
N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710060

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708787) is N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCc1ccc(N(C)C(=O)C2(C(F)(F)F)CCNC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is NICOZDVGSPXCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-3-11-4-6-12(7-5-11)20(2)13(21)14(15(16,17)18)8-9-19-10-14/h4-7,19H,3,8-10H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).