benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium

C17H19F2N2O+ — CID 9274685

IUPACbenzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
SMILESC[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+](C)Cc1ccccc1
InChIInChI=1S/C17H18F2N2O/c1-12(21(2)11-13-6-4-3-5-7-13)17(22)20-14-8-9-15(18)16(19)10-14/h3-10,12H,11H2,1-2H3,(H,20,22)/p+1/t12-/m1/s1
InChIKeyFVPIGJWXYXSTRC-GFCCVEGCSA-O
MW305.35 g/mol
LogP2.01
Rot. Bonds5

About benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium

benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium (PubChem CID 9274685) has the molecular formula C17H19F2N2O+ and a molecular weight of 305.35 g/mol. Its IUPAC name is benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Namebenzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
PubChem CID9274685
Molecular FormulaC17H19F2N2O+
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Namebenzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
SMILESC[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+](C)Cc1ccccc1
InChIInChI=1S/C17H18F2N2O/c1-12(21(2)11-13-6-4-3-5-7-13)17(22)20-14-8-9-15(18)16(19)10-14/h3-10,12H,11H2,1-2H3,(H,20,22)/p+1/t12-/m1/s1
InChIKeyFVPIGJWXYXSTRC-GFCCVEGCSA-O
XLogP2.01
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274622
benzyl-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274668
benzyl-methyl-[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]azanium
CID 9274719
benzyl-[(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274779
benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274599
(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517771
benzyl-[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274743
3-(3,4-difluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114896864
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9431823
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[(3-chlorophenyl)methyl]-methylazanium
CID 9251362
(2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide
CID 670052

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium (CID 9274685) is benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium is C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+](C)Cc1ccccc1.
What is the InChIKey of benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is FVPIGJWXYXSTRC-GFCCVEGCSA-O. The full InChI is InChI=1S/C17H18F2N2O/c1-12(21(2)11-13-6-4-3-5-7-13)17(22)20-14-8-9-15(18)16(19)10-14/h3-10,12H,11H2,1-2H3,(H,20,22)/p+1/t12-/m1/s1.
What are the key properties of benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium?
benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 305.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 9274685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).