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

C18H19F3N3O2+ — CID 9369197

IUPAC[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C18H18F3N3O2/c1-11(15-7-4-13(20)8-16(15)21)22-9-17(25)23-10-18(26)24-14-5-2-12(19)3-6-14/h2-8,11,22H,9-10H2,1H3,(H,23,25)(H,24,26)/p+1/t11-/m1/s1
InChIKeyONCQWFUFXQUQTF-LLVKDONJSA-O
MW366.36 g/mol
LogP1.48
Rot. Bonds7

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

[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium (PubChem CID 9369197) has the molecular formula C18H19F3N3O2+ and a molecular weight of 366.36 g/mol. Its IUPAC name is [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
PubChem CID9369197
Molecular FormulaC18H19F3N3O2+
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Name[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C18H18F3N3O2/c1-11(15-7-4-13(20)8-16(15)21)22-9-17(25)23-10-18(26)24-14-5-2-12(19)3-6-14/h2-8,11,22H,9-10H2,1H3,(H,23,25)(H,24,26)/p+1/t11-/m1/s1
InChIKeyONCQWFUFXQUQTF-LLVKDONJSA-O
XLogP1.48
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

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Related Compounds

[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3,4-dimethylanilino)-2-oxoethyl]azanium
CID 9369502
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369639
[(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-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8689088
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9335067
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(naphthalen-2-ylamino)-2-oxoethyl]azanium
CID 9369869
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]azanium
CID 9118852
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 9369566
[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369623
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 5205104
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369546
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369550

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium (CID 9369197) is [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium is C[C@@H]([NH2+]CC(=O)NCC(=O)Nc1ccc(F)cc1)c1ccc(F)cc1F.
What is the InChIKey of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
The InChIKey is ONCQWFUFXQUQTF-LLVKDONJSA-O. The full InChI is InChI=1S/C18H18F3N3O2/c1-11(15-7-4-13(20)8-16(15)21)22-9-17(25)23-10-18(26)24-14-5-2-12(19)3-6-14/h2-8,11,22H,9-10H2,1H3,(H,23,25)(H,24,26)/p+1/t11-/m1/s1.
What are the key properties of [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium?
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium has a molecular weight of 366.36 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 9369197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).