N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride

C19H27ClF3N3O2 — CID 119598455

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C19H26F3N3O2.ClH/c1-12(2)10-18(3,11-23)24-17(27)13-7-14(19(20,21)22)9-15(8-13)25-6-4-5-16(25)26;/h7-9,12H,4-6,10-11,23H2,1-3H3,(H,24,27);1H
InChIKeyGFFSHJMFPANMOL-UHFFFAOYSA-N
MW421.89 g/mol
LogP3.75
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119598455) has the molecular formula C19H27ClF3N3O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119598455
Molecular FormulaC19H27ClF3N3O2
Molecular Weight421.89 g/mol
Exact Mass421.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C19H26F3N3O2.ClH/c1-12(2)10-18(3,11-23)24-17(27)13-7-14(19(20,21)22)9-15(8-13)25-6-4-5-16(25)26;/h7-9,12H,4-6,10-11,23H2,1-3H3,(H,24,27);1H
InChIKeyGFFSHJMFPANMOL-UHFFFAOYSA-N
XLogP3.75
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride with MolForge

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Related Compounds

N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
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N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119641158
(2R)-3-methyl-2-[[3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 119369481
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide
CID 119654050
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CID 119456665
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81486507
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CID 119561222
3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide
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N-(1-amino-2,4-dimethylpentan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide;hydrochloride
CID 119260997
N-(1-amino-2,4-dimethylpentan-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride (CID 119598455) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is GFFSHJMFPANMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2.ClH/c1-12(2)10-18(3,11-23)24-17(27)13-7-14(19(20,21)22)9-15(8-13)25-6-4-5-16(25)26;/h7-9,12H,4-6,10-11,23H2,1-3H3,(H,24,27);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 421.89 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119598455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).