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

C14H17ClF3N3O2 — CID 119383232

IUPACN-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3O2.ClH/c15-14(16,17)10-6-9(13(22)19-4-3-18)7-11(8-10)20-5-1-2-12(20)21;/h6-8H,1-5,18H2,(H,19,22);1H
InChIKeyQRFNWAFOWBGMKA-UHFFFAOYSA-N
MW351.76 g/mol
LogP1.94
Rot. Bonds4

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

N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119383232) has the molecular formula C14H17ClF3N3O2 and a molecular weight of 351.76 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119383232
Molecular FormulaC14H17ClF3N3O2
Molecular Weight351.76 g/mol
Exact Mass351.10
IUPAC NameN-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.NCCNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3O2.ClH/c15-14(16,17)10-6-9(13(22)19-4-3-18)7-11(8-10)20-5-1-2-12(20)21;/h6-8H,1-5,18H2,(H,19,22);1H
InChIKeyQRFNWAFOWBGMKA-UHFFFAOYSA-N
XLogP1.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119641158
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119598455
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119456665
(2R)-3-methyl-2-[[3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 119369481
3-(2-oxopyrrolidin-1-yl)-N-piperidin-3-yl-5-(trifluoromethyl)benzamide
CID 119425956
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide
CID 119654050
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,5-bis(trifluoromethyl)benzamide
CID 78777407
N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide
CID 119384158
N-(2-aminoethyl)-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide
CID 120604401
1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 119561222
N-(2-aminoethyl)-2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide;hydrochloride
CID 120604511
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride (CID 119383232) is N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride is Cl.NCCNC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1.
What is the InChIKey of N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is QRFNWAFOWBGMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2.ClH/c15-14(16,17)10-6-9(13(22)19-4-3-18)7-11(8-10)20-5-1-2-12(20)21;/h6-8H,1-5,18H2,(H,19,22);1H.
What are the key properties of N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 351.76 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119383232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).