[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium

C20H23F2N2O2+ — CID 9369219

IUPAC[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C20H22F2N2O2/c1-13(17-9-8-16(21)11-18(17)22)23-12-20(26)24-19(14(2)25)10-15-6-4-3-5-7-15/h3-9,11,13,19,23H,10,12H2,1-2H3,(H,24,26)/p+1/t13-,19-/m1/s1
InChIKeyKUKNKACXKZNALA-BFUOFWGJSA-O
MW361.41 g/mol
LogP1.91
Rot. Bonds8

About [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium

[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium (PubChem CID 9369219) has the molecular formula C20H23F2N2O2+ and a molecular weight of 361.41 g/mol. Its IUPAC name is [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
PubChem CID9369219
Molecular FormulaC20H23F2N2O2+
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C20H22F2N2O2/c1-13(17-9-8-16(21)11-18(17)22)23-12-20(26)24-19(14(2)25)10-15-6-4-3-5-7-15/h3-9,11,13,19,23H,10,12H2,1-2H3,(H,24,26)/p+1/t13-,19-/m1/s1
InChIKeyKUKNKACXKZNALA-BFUOFWGJSA-O
XLogP1.91
TPSA62.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium with MolForge

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9046433
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 9369566
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
CID 9369869
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369729
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369639
2-(4-fluorophenoxy)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7818065
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9370103
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8689088
[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369623
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3,4-dimethylanilino)-2-oxoethyl]azanium
CID 9369502
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9368960
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9369197

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium?
The IUPAC name of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium (CID 9369219) is [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium.
What is the SMILES notation for [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium?
The canonical SMILES for [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium is CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1F.
What is the InChIKey of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium?
The InChIKey is KUKNKACXKZNALA-BFUOFWGJSA-O. The full InChI is InChI=1S/C20H22F2N2O2/c1-13(17-9-8-16(21)11-18(17)22)23-12-20(26)24-19(14(2)25)10-15-6-4-3-5-7-15/h3-9,11,13,19,23H,10,12H2,1-2H3,(H,24,26)/p+1/t13-,19-/m1/s1.
What are the key properties of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium?
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium has a molecular weight of 361.41 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium is sourced from PubChem (CID 9369219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).