benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium

C17H20FN2O+ — CID 8541486

IUPACbenzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1F)Cc1ccccc1
InChIInChI=1S/C17H19FN2O/c1-2-20(12-14-8-4-3-5-9-14)13-17(21)19-16-11-7-6-10-15(16)18/h3-11H,2,12-13H2,1H3,(H,19,21)/p+1
InChIKeyBORJUBFDODKVJE-UHFFFAOYSA-O
MW287.36 g/mol
LogP1.87
Rot. Bonds6

About benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium

benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium (PubChem CID 8541486) has the molecular formula C17H20FN2O+ and a molecular weight of 287.36 g/mol. Its IUPAC name is benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namebenzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium
PubChem CID8541486
Molecular FormulaC17H20FN2O+
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Namebenzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccccc1F)Cc1ccccc1
InChIInChI=1S/C17H19FN2O/c1-2-20(12-14-8-4-3-5-9-14)13-17(21)19-16-11-7-6-10-15(16)18/h3-11H,2,12-13H2,1H3,(H,19,21)/p+1
InChIKeyBORJUBFDODKVJE-UHFFFAOYSA-O
XLogP1.87
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl-ethyl-[3-(2-fluoroanilino)-3-oxopropyl]azanium
CID 7027949
benzyl-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylazanium
CID 8541403
benzyl-ethyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 8541461
ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907288
benzyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8541608
benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium
CID 8541334
benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium
CID 8541446
benzyl-[2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl]-ethylazanium
CID 8547549
cyclopropyl-[2-(2-fluoroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]azanium
CID 8905006
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9349183
N-(2-fluorophenyl)butanamide
CID 849021
benzyl-ethyl-[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 8541687

Frequently Asked Questions

What is the IUPAC name of benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium?
The IUPAC name of benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium (CID 8541486) is benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium.
What is the SMILES notation for benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium?
The canonical SMILES for benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1ccccc1F)Cc1ccccc1.
What is the InChIKey of benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium?
The InChIKey is BORJUBFDODKVJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19FN2O/c1-2-20(12-14-8-4-3-5-9-14)13-17(21)19-16-11-7-6-10-15(16)18/h3-11H,2,12-13H2,1H3,(H,19,21)/p+1.
What are the key properties of benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium?
benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium has a molecular weight of 287.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-ethyl-[2-(2-fluoroanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8541486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).