1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide

C16H18ClF3N2O2 — CID 113190810

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C16H18ClF3N2O2/c1-3-21(4-2)15(24)10-7-14(23)22(9-10)11-5-6-13(17)12(8-11)16(18,19)20/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyHEADPWALEDLNPL-UHFFFAOYSA-N
MW362.78 g/mol
LogP3.58
Rot. Bonds4

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide

1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 113190810) has the molecular formula C16H18ClF3N2O2 and a molecular weight of 362.78 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID113190810
Molecular FormulaC16H18ClF3N2O2
Molecular Weight362.78 g/mol
Exact Mass362.10
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C16H18ClF3N2O2/c1-3-21(4-2)15(24)10-7-14(23)22(9-10)11-5-6-13(17)12(8-11)16(18,19)20/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyHEADPWALEDLNPL-UHFFFAOYSA-N
XLogP3.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113190814
1-(3-chloro-4-fluorophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 3236644
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
1-[3-chloro-4-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168692129
1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113189037
1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 126243563
(3R)-1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 31888932
N-butyl-1-(3,4-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113190903
(3S)-1-(3-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 124529025
(3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 9402557
(3S)-1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 38589941

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide (CID 113190810) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide is CCN(CC)C(=O)C1CC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HEADPWALEDLNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N2O2/c1-3-21(4-2)15(24)10-7-14(23)22(9-10)11-5-6-13(17)12(8-11)16(18,19)20/h5-6,8,10H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 362.78 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113190810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).