(2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium

C17H19BrFN2O+ — CID 8515487

IUPAC(2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
SMILESC[C@H](C(=O)Nc1ccccc1F)[NH+](C)Cc1ccccc1Br
InChIInChI=1S/C17H18BrFN2O/c1-12(17(22)20-16-10-6-5-9-15(16)19)21(2)11-13-7-3-4-8-14(13)18/h3-10,12H,11H2,1-2H3,(H,20,22)/p+1/t12-/m1/s1
InChIKeySCYFLLSWICVMFD-GFCCVEGCSA-O
MW366.25 g/mol
LogP2.63
Rot. Bonds5

About (2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium

(2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium (PubChem CID 8515487) has the molecular formula C17H19BrFN2O+ and a molecular weight of 366.25 g/mol. Its IUPAC name is (2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium.

Molecular Properties

Compound Name(2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
PubChem CID8515487
Molecular FormulaC17H19BrFN2O+
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name(2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
SMILESC[C@H](C(=O)Nc1ccccc1F)[NH+](C)Cc1ccccc1Br
InChIInChI=1S/C17H18BrFN2O/c1-12(17(22)20-16-10-6-5-9-15(16)19)21(2)11-13-7-3-4-8-14(13)18/h3-10,12H,11H2,1-2H3,(H,20,22)/p+1/t12-/m1/s1
InChIKeySCYFLLSWICVMFD-GFCCVEGCSA-O
XLogP2.63
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517814
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
CID 2443661
[(2S)-1-anilino-1-oxopropan-2-yl]-[(2-bromophenyl)methyl]-methylazanium
CID 8515511
(2-bromophenyl)methyl-methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]azanium
CID 8515540
(2-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 9034558
(4-tert-butylphenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 8516007
[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053228
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517835
[2-(2-bromoanilino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 2554905
(2R)-2-(2-bromophenoxy)-N-(2-fluorophenyl)propanamide
CID 7707082
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
benzyl-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274668

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium?
The IUPAC name of (2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium (CID 8515487) is (2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium.
What is the SMILES notation for (2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium?
The canonical SMILES for (2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium is C[C@H](C(=O)Nc1ccccc1F)[NH+](C)Cc1ccccc1Br.
What is the InChIKey of (2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium?
The InChIKey is SCYFLLSWICVMFD-GFCCVEGCSA-O. The full InChI is InChI=1S/C17H18BrFN2O/c1-12(17(22)20-16-10-6-5-9-15(16)19)21(2)11-13-7-3-4-8-14(13)18/h3-10,12H,11H2,1-2H3,(H,20,22)/p+1/t12-/m1/s1.
What are the key properties of (2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium?
(2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium has a molecular weight of 366.25 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium is sourced from PubChem (CID 8515487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).