cyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium

C17H25FN3O2+ — CID 8978143

IUPACcyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
SMILESCC(C)CNC(=O)NC(=O)C[NH+](Cc1ccccc1F)C1CC1
InChIInChI=1S/C17H24FN3O2/c1-12(2)9-19-17(23)20-16(22)11-21(14-7-8-14)10-13-5-3-4-6-15(13)18/h3-6,12,14H,7-11H2,1-2H3,(H2,19,20,22,23)/p+1
InChIKeyUDKHFBBYMGTNMV-UHFFFAOYSA-O
MW322.40 g/mol
LogP0.85
Rot. Bonds7

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

cyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium (PubChem CID 8978143) has the molecular formula C17H25FN3O2+ and a molecular weight of 322.40 g/mol. Its IUPAC name is cyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
PubChem CID8978143
Molecular FormulaC17H25FN3O2+
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Namecyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
SMILESCC(C)CNC(=O)NC(=O)C[NH+](Cc1ccccc1F)C1CC1
InChIInChI=1S/C17H24FN3O2/c1-12(2)9-19-17(23)20-16(22)11-21(14-7-8-14)10-13-5-3-4-6-15(13)18/h3-6,12,14H,7-11H2,1-2H3,(H2,19,20,22,23)/p+1
InChIKeyUDKHFBBYMGTNMV-UHFFFAOYSA-O
XLogP0.85
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[(2-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8978104
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8978261
cyclopropyl-[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
CID 8977593
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 8906982
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8977699
cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
CID 8977686
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8977548
1-[4-(2-fluorophenyl)butyl]-3-(2-methylpropyl)urea
CID 110607188
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-cyclopropyl-[(2-fluorophenyl)methyl]azanium
CID 8978211
cyclopropyl-[(2-fluorophenyl)methyl]-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8977982
cyclopropyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
CID 8978323
cyclopropyl-[(2-fluorophenyl)methyl]-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8978120

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium?
The IUPAC name of cyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium (CID 8978143) is cyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium.
What is the SMILES notation for cyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium?
The canonical SMILES for cyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium is CC(C)CNC(=O)NC(=O)C[NH+](Cc1ccccc1F)C1CC1.
What is the InChIKey of cyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium?
The InChIKey is UDKHFBBYMGTNMV-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24FN3O2/c1-12(2)9-19-17(23)20-16(22)11-21(14-7-8-14)10-13-5-3-4-6-15(13)18/h3-6,12,14H,7-11H2,1-2H3,(H2,19,20,22,23)/p+1.
What are the key properties of cyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium?
cyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium has a molecular weight of 322.40 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2-fluorophenyl)methyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 8978143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).