[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium

C14H20F2N3O2+ — CID 8689088

IUPAC[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NCC(=O)N(C)C)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2N3O2/c1-9(11-5-4-10(15)6-12(11)16)17-7-13(20)18-8-14(21)19(2)3/h4-6,9,17H,7-8H2,1-3H3,(H,18,20)/p+1/t9-/m0/s1
InChIKeyUHFXOGLHAKFSJT-VIFPVBQESA-O
MW300.33 g/mol
LogP-0.21
Rot. Bonds6

About [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium

[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium (PubChem CID 8689088) has the molecular formula C14H20F2N3O2+ and a molecular weight of 300.33 g/mol. Its IUPAC name is [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
PubChem CID8689088
Molecular FormulaC14H20F2N3O2+
Molecular Weight300.33 g/mol
Exact Mass300.15
IUPAC Name[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NCC(=O)N(C)C)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2N3O2/c1-9(11-5-4-10(15)6-12(11)16)17-7-13(20)18-8-14(21)19(2)3/h4-6,9,17H,7-8H2,1-3H3,(H,18,20)/p+1/t9-/m0/s1
InChIKeyUHFXOGLHAKFSJT-VIFPVBQESA-O
XLogP-0.21
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium with MolForge

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Related Compounds

[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9369197
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8689093
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9369126
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9368960
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369729
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium
CID 8688786
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369639
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 9369566
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3,4-dimethylanilino)-2-oxoethyl]azanium
CID 9369502
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
CID 9369869
[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369623

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium (CID 8689088) is [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium is C[C@H]([NH2+]CC(=O)NCC(=O)N(C)C)c1ccc(F)cc1F.
What is the InChIKey of [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The InChIKey is UHFXOGLHAKFSJT-VIFPVBQESA-O. The full InChI is InChI=1S/C14H19F2N3O2/c1-9(11-5-4-10(15)6-12(11)16)17-7-13(20)18-8-14(21)19(2)3/h4-6,9,17H,7-8H2,1-3H3,(H,18,20)/p+1/t9-/m0/s1.
What are the key properties of [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium has a molecular weight of 300.33 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8689088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).