ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C15H23FN3O2+ — CID 8907288

IUPACethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1F)CC(=O)NC(C)C
InChIInChI=1S/C15H22FN3O2/c1-4-19(9-14(20)17-11(2)3)10-15(21)18-13-8-6-5-7-12(13)16/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)(H,18,21)/p+1
InChIKeyIHGMVISRBANHJF-UHFFFAOYSA-O
MW296.37 g/mol
LogP0.19
Rot. Bonds7

About ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8907288) has the molecular formula C15H23FN3O2+ and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID8907288
Molecular FormulaC15H23FN3O2+
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nameethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1F)CC(=O)NC(C)C
InChIInChI=1S/C15H22FN3O2/c1-4-19(9-14(20)17-11(2)3)10-15(21)18-13-8-6-5-7-12(13)16/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)(H,18,21)/p+1
InChIKeyIHGMVISRBANHJF-UHFFFAOYSA-O
XLogP0.19
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8906695
[2-(2-ethoxyanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907070
benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium
CID 8541486
[2-(benzylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907146
2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 9301491
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907135
N-(2-fluorophenyl)butanamide
CID 849021
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029341
benzyl-ethyl-[3-(2-fluoroanilino)-3-oxopropyl]azanium
CID 7027949
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049449
ethyl-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8792952

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8907288) is ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CC[NH+](CC(=O)Nc1ccccc1F)CC(=O)NC(C)C.
What is the InChIKey of ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is IHGMVISRBANHJF-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22FN3O2/c1-4-19(9-14(20)17-11(2)3)10-15(21)18-13-8-6-5-7-12(13)16/h5-8,11H,4,9-10H2,1-3H3,(H,17,20)(H,18,21)/p+1.
What are the key properties of ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 296.37 g/mol, XLogP of 0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8907288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).