cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium

C18H19F2N2O+ — CID 8905006

IUPACcyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
SMILESO=C(C[NH+](Cc1ccc(F)cc1)C1CC1)Nc1ccccc1F
InChIInChI=1S/C18H18F2N2O/c19-14-7-5-13(6-8-14)11-22(15-9-10-15)12-18(23)21-17-4-2-1-3-16(17)20/h1-8,15H,9-12H2,(H,21,23)/p+1
InChIKeyQMRGOKVHWMLKLJ-UHFFFAOYSA-O
MW317.36 g/mol
LogP2.15
Rot. Bonds6

About cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium

cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium (PubChem CID 8905006) has the molecular formula C18H19F2N2O+ and a molecular weight of 317.36 g/mol. Its IUPAC name is cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
PubChem CID8905006
Molecular FormulaC18H19F2N2O+
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Namecyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
SMILESO=C(C[NH+](Cc1ccc(F)cc1)C1CC1)Nc1ccccc1F
InChIInChI=1S/C18H18F2N2O/c19-14-7-5-13(6-8-14)11-22(15-9-10-15)12-18(23)21-17-4-2-1-3-16(17)20/h1-8,15H,9-12H2,(H,21,23)/p+1
InChIKeyQMRGOKVHWMLKLJ-UHFFFAOYSA-O
XLogP2.15
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-benzylanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905358
cyclopropyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905345
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8904985
cyclohexyl-[(4-fluorophenyl)methyl]-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9300267
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 8906982
cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872645
[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905025
cyclopropyl-[2-(4-ethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872573
cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8905793
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]-cyclohexyl-[(4-fluorophenyl)methyl]azanium
CID 8710974
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8906702
cyclopropyl-[2-(2-methoxyanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 8915560

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium (CID 8905006) is cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium is O=C(C[NH+](Cc1ccc(F)cc1)C1CC1)Nc1ccccc1F.
What is the InChIKey of cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium?
The InChIKey is QMRGOKVHWMLKLJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18F2N2O/c19-14-7-5-13(6-8-14)11-22(15-9-10-15)12-18(23)21-17-4-2-1-3-16(17)20/h1-8,15H,9-12H2,(H,21,23)/p+1.
What are the key properties of cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium?
cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium has a molecular weight of 317.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8905006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).