N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride

C18H25ClF3N3O2 — CID 119641158

IUPACN-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C18H24F3N3O2.ClH/c1-3-17(22,4-2)11-23-16(26)12-8-13(18(19,20)21)10-14(9-12)24-7-5-6-15(24)25;/h8-10H,3-7,11,22H2,1-2H3,(H,23,26);1H
InChIKeySDWBHVLWFHUSMT-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.50
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride

N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119641158) has the molecular formula C18H25ClF3N3O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119641158
Molecular FormulaC18H25ClF3N3O2
Molecular Weight407.86 g/mol
Exact Mass407.16
IUPAC NameN-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C18H24F3N3O2.ClH/c1-3-17(22,4-2)11-23-16(26)12-8-13(18(19,20)21)10-14(9-12)24-7-5-6-15(24)25;/h8-10H,3-7,11,22H2,1-2H3,(H,23,26);1H
InChIKeySDWBHVLWFHUSMT-UHFFFAOYSA-N
XLogP3.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119383232
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119598455
(2R)-3-methyl-2-[[3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 119369481
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide
CID 119654050
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119456665
1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 119561222
3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide
CID 119425956
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,5-bis(trifluoromethyl)benzamide
CID 78777407
N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
CID 119643636
N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46414391
N-(2-amino-2-ethylbutyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119641489
N-(2-amino-2-ethylbutyl)-4-(3,6-dioxodiazinan-1-yl)benzamide;hydrochloride
CID 119641104

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride (CID 119641158) is N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride is CCC(N)(CC)CNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is SDWBHVLWFHUSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2.ClH/c1-3-17(22,4-2)11-23-16(26)12-8-13(18(19,20)21)10-14(9-12)24-7-5-6-15(24)25;/h8-10H,3-7,11,22H2,1-2H3,(H,23,26);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 407.86 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119641158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).