N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

C14H14ClF3N2O2 — CID 155809017

IUPACN-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1C(=O)NCc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H14ClF3N2O2/c1-20-11(4-5-12(20)21)13(22)19-7-8-6-9(14(16,17)18)2-3-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,19,22)
InChIKeyZAPWFGKLWFBELU-UHFFFAOYSA-N
MW334.73 g/mol
LogP2.60
Rot. Bonds3

About N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide

N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 155809017) has the molecular formula C14H14ClF3N2O2 and a molecular weight of 334.73 g/mol. Its IUPAC name is N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID155809017
Molecular FormulaC14H14ClF3N2O2
Molecular Weight334.73 g/mol
Exact Mass334.07
IUPAC NameN-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN1C(=O)CCC1C(=O)NCc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H14ClF3N2O2/c1-20-11(4-5-12(20)21)13(22)19-7-8-6-9(14(16,17)18)2-3-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,19,22)
InChIKeyZAPWFGKLWFBELU-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Gsk-1482160
CID 23649427
Gsk1370319A
CID 67461788
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(S)-N-(2,4-dichlorobenzyl)-N-(pyrrolidin-3-yl)pentanamide
CID 11515426
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CID 49864875
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CID 49864911

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide (CID 155809017) is N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is CN1C(=O)CCC1C(=O)NCc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is ZAPWFGKLWFBELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O2/c1-20-11(4-5-12(20)21)13(22)19-7-8-6-9(14(16,17)18)2-3-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,19,22).
What are the key properties of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide?
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 334.73 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 155809017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).