[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium

C19H20F2N3O2+ — CID 8517202

IUPAC[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
SMILESC[C@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19F2N3O2/c1-13(18(25)23-16-5-3-4-15(10-16)11-22)24(2)12-14-6-8-17(9-7-14)26-19(20)21/h3-10,13,19H,12H2,1-2H3,(H,23,25)/p+1/t13-/m1/s1
InChIKeyJGVQXHTYLZNGED-CYBMUJFWSA-O
MW360.38 g/mol
LogP2.20
Rot. Bonds7

About [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium

[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium (PubChem CID 8517202) has the molecular formula C19H20F2N3O2+ and a molecular weight of 360.38 g/mol. Its IUPAC name is [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
PubChem CID8517202
Molecular FormulaC19H20F2N3O2+
Molecular Weight360.38 g/mol
Exact Mass360.15
IUPAC Name[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
SMILESC[C@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H19F2N3O2/c1-13(18(25)23-16-5-3-4-15(10-16)11-22)24(2)12-14-6-8-17(9-7-14)26-19(20)21/h3-10,13,19H,12H2,1-2H3,(H,23,25)/p+1/t13-/m1/s1
InChIKeyJGVQXHTYLZNGED-CYBMUJFWSA-O
XLogP2.20
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium with MolForge

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Related Compounds

[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium
CID 7928209
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8516885
[4-(difluoromethoxy)phenyl]methyl-methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]azanium
CID 8517269
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 9198880
(2R)-N-(3-cyanophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7950503
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-methylazanium
CID 9104739
benzyl-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274622
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705335
2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
CID 17450699
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2657581
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 16524098

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium?
The IUPAC name of [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium (CID 8517202) is [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium.
What is the SMILES notation for [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium?
The canonical SMILES for [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium is C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+](C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium?
The InChIKey is JGVQXHTYLZNGED-CYBMUJFWSA-O. The full InChI is InChI=1S/C19H19F2N3O2/c1-13(18(25)23-16-5-3-4-15(10-16)11-22)24(2)12-14-6-8-17(9-7-14)26-19(20)21/h3-10,13,19H,12H2,1-2H3,(H,23,25)/p+1/t13-/m1/s1.
What are the key properties of [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium?
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium has a molecular weight of 360.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium is sourced from PubChem (CID 8517202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).