[2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

C16H17F2N2O+ — CID 2684101

IUPAC[2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C16H16F2N2O/c1-11(12-5-3-2-4-6-12)19-10-16(21)20-15-8-7-13(17)9-14(15)18/h2-9,11,19H,10H2,1H3,(H,20,21)/p+1/t11-/m1/s1
InChIKeyCFAGYCFMTKELHN-LLVKDONJSA-O
MW291.32 g/mol
LogP2.23
Rot. Bonds5

About [2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium

[2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (PubChem CID 2684101) has the molecular formula C16H17F2N2O+ and a molecular weight of 291.32 g/mol. Its IUPAC name is [2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
PubChem CID2684101
Molecular FormulaC16H17F2N2O+
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name[2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C16H16F2N2O/c1-11(12-5-3-2-4-6-12)19-10-16(21)20-15-8-7-13(17)9-14(15)18/h2-9,11,19H,10H2,1H3,(H,20,21)/p+1/t11-/m1/s1
InChIKeyCFAGYCFMTKELHN-LLVKDONJSA-O
XLogP2.23
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 9336001
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248668
[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898444
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132052
[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898297
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
4-(2,4-difluoroanilino)-2-methyl-4-oxobutanoic acid
CID 115164947
[2-(3,5-dichloroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2106406
N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131816
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9370103
[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8898627

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium (CID 2684101) is [2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of [2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
The InChIKey is CFAGYCFMTKELHN-LLVKDONJSA-O. The full InChI is InChI=1S/C16H16F2N2O/c1-11(12-5-3-2-4-6-12)19-10-16(21)20-15-8-7-13(17)9-14(15)18/h2-9,11,19H,10H2,1H3,(H,20,21)/p+1/t11-/m1/s1.
What are the key properties of [2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium?
[2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium has a molecular weight of 291.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 2684101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).