[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium

C17H18Cl2FN2O+ — CID 7831679

IUPAC[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
SMILESC[C@H](C(=O)Nc1cccc(Cl)c1)[NH+](C)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H17Cl2FN2O/c1-11(17(23)21-13-6-3-5-12(18)9-13)22(2)10-14-15(19)7-4-8-16(14)20/h3-9,11H,10H2,1-2H3,(H,21,23)/p+1/t11-/m1/s1
InChIKeyBUUXJCXHNDFZEK-LLVKDONJSA-O
MW356.25 g/mol
LogP3.17
Rot. Bonds5

About [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium

[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium (PubChem CID 7831679) has the molecular formula C17H18Cl2FN2O+ and a molecular weight of 356.25 g/mol. Its IUPAC name is [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
PubChem CID7831679
Molecular FormulaC17H18Cl2FN2O+
Molecular Weight356.25 g/mol
Exact Mass355.08
IUPAC Name[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
SMILESC[C@H](C(=O)Nc1cccc(Cl)c1)[NH+](C)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H17Cl2FN2O/c1-11(17(23)21-13-6-3-5-12(18)9-13)22(2)10-14-15(19)7-4-8-16(14)20/h3-9,11H,10H2,1-2H3,(H,21,23)/p+1/t11-/m1/s1
InChIKeyBUUXJCXHNDFZEK-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

Analyze [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium with MolForge

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Related Compounds

(2-chloro-6-fluorophenyl)methyl-methyl-[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl]azanium
CID 2657945
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium
CID 2549849
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9431823
(2-chloro-6-fluorophenyl)methyl-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 9042523
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[(3-chlorophenyl)methyl]-methylazanium
CID 9251362
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8908981
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517835
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium
CID 8514524
benzyl-[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274685
benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274622
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8516079
N-(3-chlorophenyl)-2-methylbutanamide
CID 4636150

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium (CID 7831679) is [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium is C[C@H](C(=O)Nc1cccc(Cl)c1)[NH+](C)Cc1c(F)cccc1Cl.
What is the InChIKey of [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium?
The InChIKey is BUUXJCXHNDFZEK-LLVKDONJSA-O. The full InChI is InChI=1S/C17H17Cl2FN2O/c1-11(17(23)21-13-6-3-5-12(18)9-13)22(2)10-14-15(19)7-4-8-16(14)20/h3-9,11H,10H2,1-2H3,(H,21,23)/p+1/t11-/m1/s1.
What are the key properties of [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium?
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-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-(3-chloroanilino)-1-oxopropan-2-yl]-[(2-chloro-6-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 7831679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).