[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium

C17H18ClF2N2O+ — CID 9369729

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NCc1ccccc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C17H17ClF2N2O/c1-11(14-7-6-13(19)8-16(14)20)21-10-17(23)22-9-12-4-2-3-5-15(12)18/h2-8,11,21H,9-10H2,1H3,(H,22,23)/p+1/t11-/m1/s1
InChIKeyOWXANMHATOWDDR-LLVKDONJSA-O
MW339.79 g/mol
LogP2.56
Rot. Bonds6

About [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium (PubChem CID 9369729) has the molecular formula C17H18ClF2N2O+ and a molecular weight of 339.79 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
PubChem CID9369729
Molecular FormulaC17H18ClF2N2O+
Molecular Weight339.79 g/mol
Exact Mass339.11
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NCc1ccccc1Cl)c1ccc(F)cc1F
InChIInChI=1S/C17H17ClF2N2O/c1-11(14-7-6-13(19)8-16(14)20)21-10-17(23)22-9-12-4-2-3-5-15(12)18/h2-8,11,21H,9-10H2,1H3,(H,22,23)/p+1/t11-/m1/s1
InChIKeyOWXANMHATOWDDR-LLVKDONJSA-O
XLogP2.56
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 8599138
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8689088
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046111
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9369197
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl]azanium
CID 8688786
N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9209761
[(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
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-(propylcarbamoylamino)ethyl]azanium
CID 9368960
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
CID 9369219
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9369126
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369639

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium (CID 9369729) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium is C[C@@H]([NH2+]CC(=O)NCc1ccccc1Cl)c1ccc(F)cc1F.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium?
The InChIKey is OWXANMHATOWDDR-LLVKDONJSA-O. The full InChI is InChI=1S/C17H17ClF2N2O/c1-11(14-7-6-13(19)8-16(14)20)21-10-17(23)22-9-12-4-2-3-5-15(12)18/h2-8,11,21H,9-10H2,1H3,(H,22,23)/p+1/t11-/m1/s1.
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium has a molecular weight of 339.79 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium is sourced from PubChem (CID 9369729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).