[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium

C19H22Cl2N3O2+ — CID 8712164

IUPAC[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
SMILESCN(C)C(=O)C[NH+](C)[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C19H21Cl2N3O2/c1-23(2)17(25)12-24(3)18(13-7-5-4-6-8-13)19(26)22-16-10-14(20)9-15(21)11-16/h4-11,18H,12H2,1-3H3,(H,22,26)/p+1/t18-/m0/s1
InChIKeyNQDHGADYEXGQBJ-SFHVURJKSA-O
MW395.31 g/mol
LogP2.28
Rot. Bonds6

About [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium

[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium (PubChem CID 8712164) has the molecular formula C19H22Cl2N3O2+ and a molecular weight of 395.31 g/mol. Its IUPAC name is [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
PubChem CID8712164
Molecular FormulaC19H22Cl2N3O2+
Molecular Weight395.31 g/mol
Exact Mass394.11
IUPAC Name[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
SMILESCN(C)C(=O)C[NH+](C)[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C19H21Cl2N3O2/c1-23(2)17(25)12-24(3)18(13-7-5-4-6-8-13)19(26)22-16-10-14(20)9-15(21)11-16/h4-11,18H,12H2,1-3H3,(H,22,26)/p+1/t18-/m0/s1
InChIKeyNQDHGADYEXGQBJ-SFHVURJKSA-O
XLogP2.28
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium with MolForge

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Related Compounds

[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium
CID 2515495
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712160
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712162
[2-(dimethylamino)-2-oxoethyl]-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methylazanium
CID 8712142
[2-(dimethylamino)-2-oxoethyl]-methyl-[(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]azanium
CID 8712168
(2R)-N-(3,5-dichlorophenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide
CID 8852446
[(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium
CID 8852443
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053034
(2R)-N-(3,5-dichlorophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]-2-phenylacetamide
CID 8771892
[2-(dimethylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]azanium
CID 8712180
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate
CID 40986718
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium
CID 8551653

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium (CID 8712164) is [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium is CN(C)C(=O)C[NH+](C)[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1.
What is the InChIKey of [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
The InChIKey is NQDHGADYEXGQBJ-SFHVURJKSA-O. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-23(2)17(25)12-24(3)18(13-7-5-4-6-8-13)19(26)22-16-10-14(20)9-15(21)11-16/h4-11,18H,12H2,1-3H3,(H,22,26)/p+1/t18-/m0/s1.
What are the key properties of [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium?
[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium has a molecular weight of 395.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8712164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).