1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

C17H23F2N3O2 — CID 60504716

IUPAC1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CC(=O)NCCc1c(F)cccc1F
InChIInChI=1S/C17H23F2N3O2/c1-21(2)17(24)15-7-4-10-22(15)11-16(23)20-9-8-12-13(18)5-3-6-14(12)19/h3,5-6,15H,4,7-11H2,1-2H3,(H,20,23)
InChIKeyPLZCJPMKKINIIP-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.18
Rot. Bonds6

About 1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 60504716) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID60504716
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1CC(=O)NCCc1c(F)cccc1F
InChIInChI=1S/C17H23F2N3O2/c1-21(2)17(24)15-7-4-10-22(15)11-16(23)20-9-8-12-13(18)5-3-6-14(12)19/h3,5-6,15H,4,7-11H2,1-2H3,(H,20,23)
InChIKeyPLZCJPMKKINIIP-UHFFFAOYSA-N
XLogP1.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42926300
(2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95287372
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 110898388
(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 75384682
1-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 154814615
N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 134031662
N,N-dimethyl-1-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 134031706
1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 18125232
1-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 18125194
(2S)-N,N-dimethyl-1-[3-[(2-phenylsulfanylacetyl)amino]propyl]pyrrolidine-2-carboxamide
CID 95296492
N-[2-(2,6-difluorophenyl)ethyl]-2-[(1S)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]acetamide
CID 97024925
(2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 52860378

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 60504716) is 1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1CC(=O)NCCc1c(F)cccc1F.
What is the InChIKey of 1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is PLZCJPMKKINIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-21(2)17(24)15-7-4-10-22(15)11-16(23)20-9-8-12-13(18)5-3-6-14(12)19/h3,5-6,15H,4,7-11H2,1-2H3,(H,20,23).
What are the key properties of 1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60504716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).