N-(2-amino-2-ethylbutyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

C17H24ClF2N3O2 — CID 119641520

IUPACN-(2-amino-2-ethylbutyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CC(=O)N(c2ccc(F)cc2F)C1.Cl
InChIInChI=1S/C17H23F2N3O2.ClH/c1-3-17(20,4-2)10-21-16(24)11-7-15(23)22(9-11)14-6-5-12(18)8-13(14)19;/h5-6,8,11H,3-4,7,9-10,20H2,1-2H3,(H,21,24);1H
InChIKeyBYKSZBLTESXGRV-UHFFFAOYSA-N
MW375.85 g/mol
LogP2.37
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119641520) has the molecular formula C17H24ClF2N3O2 and a molecular weight of 375.85 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
PubChem CID119641520
Molecular FormulaC17H24ClF2N3O2
Molecular Weight375.85 g/mol
Exact Mass375.15
IUPAC NameN-(2-amino-2-ethylbutyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C1CC(=O)N(c2ccc(F)cc2F)C1.Cl
InChIInChI=1S/C17H23F2N3O2.ClH/c1-3-17(20,4-2)10-21-16(24)11-7-15(23)22(9-11)14-6-5-12(18)8-13(14)19;/h5-6,8,11H,3-4,7,9-10,20H2,1-2H3,(H,21,24);1H
InChIKeyBYKSZBLTESXGRV-UHFFFAOYSA-N
XLogP2.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119383551
N-(2-amino-2-ethylbutyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119642525
ethyl 1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 50874002
(2S)-2-[[(3R)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 124693037
2-[2-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241557
1-(2,4-difluorophenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113190639
ethyl 4-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 46422511
1-(2,4-difluorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 86930176
ethyl N-[1-[[1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentan-2-yl]carbamate
CID 55654727
N-(2-amino-2-ethylbutyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 119640860
1-(2,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 55617125
N-(2-amino-1-cyclohexylethyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119590398

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride (CID 119641520) is N-(2-amino-2-ethylbutyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)C1CC(=O)N(c2ccc(F)cc2F)C1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is BYKSZBLTESXGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2.ClH/c1-3-17(20,4-2)10-21-16(24)11-7-15(23)22(9-11)14-6-5-12(18)8-13(14)19;/h5-6,8,11H,3-4,7,9-10,20H2,1-2H3,(H,21,24);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 375.85 g/mol, XLogP of 2.37, 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)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119641520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).