[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium

C18H20ClFN3O2+ — CID 9335067

IUPAC[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClFN3O2/c1-12(13-2-4-14(19)5-3-13)21-10-17(24)22-11-18(25)23-16-8-6-15(20)7-9-16/h2-9,12,21H,10-11H2,1H3,(H,22,24)(H,23,25)/p+1/t12-/m1/s1
InChIKeyFFVTXCNREVSJAE-GFCCVEGCSA-O
MW364.83 g/mol
LogP1.86
Rot. Bonds7

About [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium

[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium (PubChem CID 9335067) has the molecular formula C18H20ClFN3O2+ and a molecular weight of 364.83 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
PubChem CID9335067
Molecular FormulaC18H20ClFN3O2+
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClFN3O2/c1-12(13-2-4-14(19)5-3-13)21-10-17(24)22-11-18(25)23-16-8-6-15(20)7-9-16/h2-9,12,21H,10-11H2,1H3,(H,22,24)(H,23,25)/p+1/t12-/m1/s1
InChIKeyFFVTXCNREVSJAE-GFCCVEGCSA-O
XLogP1.86
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-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
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium
CID 9118852
[(1R)-1-(4-chlorophenyl)ethyl]-[2-(3-fluoroanilino)-2-oxoethyl]azanium
CID 9336359
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 5205104
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]azanium
CID 9335413
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 9335572
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9335490
[2-(4-chloroanilino)-2-oxoethyl]-[(1R)-1-(3-chlorophenyl)ethyl]azanium
CID 9331163
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 9336001
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]azanium
CID 8637227
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]azanium
CID 9336451

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium (CID 9335067) is [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium is C[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The InChIKey is FFVTXCNREVSJAE-GFCCVEGCSA-O. The full InChI is InChI=1S/C18H19ClFN3O2/c1-12(13-2-4-14(19)5-3-13)21-10-17(24)22-11-18(25)23-16-8-6-15(20)7-9-16/h2-9,12,21H,10-11H2,1H3,(H,22,24)(H,23,25)/p+1/t12-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium has a molecular weight of 364.83 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9335067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).