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

C21H24FN2O3+ — CID 8904931

IUPACcyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
SMILESCOC(=O)c1ccc(CNC(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C21H23FN2O3/c1-27-21(26)17-6-2-15(3-7-17)12-23-20(25)14-24(19-10-11-19)13-16-4-8-18(22)9-5-16/h2-9,19H,10-14H2,1H3,(H,23,25)/p+1
InChIKeyILFJMRYIFJCBLT-UHFFFAOYSA-O
MW371.43 g/mol
LogP1.48
Rot. Bonds8

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

cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 8904931) has the molecular formula C21H24FN2O3+ and a molecular weight of 371.43 g/mol. Its IUPAC name is cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
PubChem CID8904931
Molecular FormulaC21H24FN2O3+
Molecular Weight371.43 g/mol
Exact Mass371.18
IUPAC Namecyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
SMILESCOC(=O)c1ccc(CNC(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C21H23FN2O3/c1-27-21(26)17-6-2-15(3-7-17)12-23-20(25)14-24(19-10-11-19)13-16-4-8-18(22)9-5-16/h2-9,19H,10-14H2,1H3,(H,23,25)/p+1
InChIKeyILFJMRYIFJCBLT-UHFFFAOYSA-O
XLogP1.48
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]azanium
CID 8906925
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8872618
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]azanium
CID 8906702
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 8906982
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8904985
cyclopropyl-[2-(4-ethylanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8872573
cyclopropyl-[(4-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8905597
cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8905793
[2-(4-acetamidoanilino)-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8905025
cyclopropyl-[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8906875
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8770486
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 9432990

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium?
The IUPAC name of cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium (CID 8904931) is cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium?
The canonical SMILES for cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium is COC(=O)c1ccc(CNC(=O)C[NH+](Cc2ccc(F)cc2)C2CC2)cc1.
What is the InChIKey of cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium?
The InChIKey is ILFJMRYIFJCBLT-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23FN2O3/c1-27-21(26)17-6-2-15(3-7-17)12-23-20(25)14-24(19-10-11-19)13-16-4-8-18(22)9-5-16/h2-9,19H,10-14H2,1H3,(H,23,25)/p+1.
What are the key properties of cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium?
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium has a molecular weight of 371.43 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 8904931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).