[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium

C17H18Cl2FN2O+ — CID 8517835

IUPAC[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
SMILESC[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+](C)Cc1ccccc1F
InChIInChI=1S/C17H17Cl2FN2O/c1-11(22(2)10-12-5-3-4-6-15(12)20)17(23)21-16-9-13(18)7-8-14(16)19/h3-9,11H,10H2,1-2H3,(H,21,23)/p+1/t11-/m1/s1
InChIKeyDIUAJDGMHFBNSE-LLVKDONJSA-O
MW356.25 g/mol
LogP3.17
Rot. Bonds5

About [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium

[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium (PubChem CID 8517835) has the molecular formula C17H18Cl2FN2O+ and a molecular weight of 356.25 g/mol. Its IUPAC name is [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
PubChem CID8517835
Molecular FormulaC17H18Cl2FN2O+
Molecular Weight356.25 g/mol
Exact Mass355.08
IUPAC Name[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
SMILESC[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+](C)Cc1ccccc1F
InChIInChI=1S/C17H17Cl2FN2O/c1-11(22(2)10-12-5-3-4-6-15(12)20)17(23)21-16-9-13(18)7-8-14(16)19/h3-9,11H,10H2,1-2H3,(H,21,23)/p+1/t11-/m1/s1
InChIKeyDIUAJDGMHFBNSE-LLVKDONJSA-O
XLogP3.17
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.17
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
(2-fluorophenyl)methyl-methyl-[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl]azanium
CID 9034558
[2-(2-chloroanilino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
CID 2689165
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium
CID 2443661
[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053319
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(2,3-dichlorophenyl)methyl]-methylazanium
CID 2509122
(2-bromophenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 8515487
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8516079
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517771
cyclopropyl-[2-(2,5-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
CID 8977686
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 7831679
3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide
CID 80546727

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium (CID 8517835) is [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium is C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+](C)Cc1ccccc1F.
What is the InChIKey of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium?
The InChIKey is DIUAJDGMHFBNSE-LLVKDONJSA-O. The full InChI is InChI=1S/C17H17Cl2FN2O/c1-11(22(2)10-12-5-3-4-6-15(12)20)17(23)21-16-9-13(18)7-8-14(16)19/h3-9,11H,10H2,1-2H3,(H,21,23)/p+1/t11-/m1/s1.
What are the key properties of [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium?
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium has a molecular weight of 356.25 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 8517835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).