[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium

C18H22FN2O+ — CID 9131816

IUPAC[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
SMILESCC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H21FN2O/c1-13(2)18(14-8-4-3-5-9-14)20-12-17(22)21-16-11-7-6-10-15(16)19/h3-11,13,18,20H,12H2,1-2H3,(H,21,22)/p+1/t18-/m1/s1
InChIKeyFZTSKZWJXVWAON-GOSISDBHSA-O
MW301.38 g/mol
LogP2.72
Rot. Bonds6

About [2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium

[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium (PubChem CID 9131816) has the molecular formula C18H22FN2O+ and a molecular weight of 301.38 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
PubChem CID9131816
Molecular FormulaC18H22FN2O+
Molecular Weight301.38 g/mol
Exact Mass301.17
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
SMILESCC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccccc1
InChIInChI=1S/C18H21FN2O/c1-13(2)18(14-8-4-3-5-9-14)20-12-17(22)21-16-11-7-6-10-15(16)19/h3-11,13,18,20H,12H2,1-2H3,(H,21,22)/p+1/t18-/m1/s1
InChIKeyFZTSKZWJXVWAON-GOSISDBHSA-O
XLogP2.72
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132052
[2-(2-acetylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132063
[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131715
[2-(2-bromoanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133558
[2-(2-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133680
[2-(2,4-dimethylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9131700
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9131604
[2-(2,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131689
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132012
[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133375
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131551
[2-(3,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131666

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium (CID 9131816) is [2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium is CC(C)[C@@H]([NH2+]CC(=O)Nc1ccccc1F)c1ccccc1.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
The InChIKey is FZTSKZWJXVWAON-GOSISDBHSA-O. The full InChI is InChI=1S/C18H21FN2O/c1-13(2)18(14-8-4-3-5-9-14)20-12-17(22)21-16-11-7-6-10-15(16)19/h3-11,13,18,20H,12H2,1-2H3,(H,21,22)/p+1/t18-/m1/s1.
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium?
[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium has a molecular weight of 301.38 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium is sourced from PubChem (CID 9131816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).