[(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium

C19H25Cl2N3O+2 — CID 8852443

IUPAC[(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium
SMILESC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H23Cl2N3O/c1-13(19(25)23-17-10-15(20)9-16(21)11-17)22-12-18(24(2)3)14-7-5-4-6-8-14/h4-11,13,18,22H,12H2,1-3H3,(H,23,25)/p+2/t13-,18-/m0/s1
InChIKeyGUNZLIHKKYTFCQ-UGSOOPFHSA-P
MW382.34 g/mol
LogP1.77
Rot. Bonds7

About [(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium

[(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium (PubChem CID 8852443) has the molecular formula C19H25Cl2N3O+2 and a molecular weight of 382.34 g/mol. Its IUPAC name is [(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium
PubChem CID8852443
Molecular FormulaC19H25Cl2N3O+2
Molecular Weight382.34 g/mol
Exact Mass381.14
IUPAC Name[(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium
SMILESC[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H23Cl2N3O/c1-13(19(25)23-17-10-15(20)9-16(21)11-17)22-12-18(24(2)3)14-7-5-4-6-8-14/h4-11,13,18,22H,12H2,1-3H3,(H,23,25)/p+2/t13-,18-/m0/s1
InChIKeyGUNZLIHKKYTFCQ-UGSOOPFHSA-P
XLogP1.77
TPSA50.15 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze [(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium with MolForge

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Related Compounds

[2-(3,5-dichloroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2106406
[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium
CID 2515495
(2S)-N-(3,5-dichlorophenyl)-2-[[(2R)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 7928811
[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712164
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate
CID 7810987
(2R)-N-(3,5-dichlorophenyl)-2-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]propanamide
CID 8852446
[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[(3,4-dimethoxyphenyl)methyl]azanium
CID 2407048
(2R)-N-(3,5-dichlorophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]-2-phenylacetamide
CID 8771892
N-(3,5-dichlorophenyl)-2-phenoxypropanamide
CID 2886890
N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 797394
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-propylazanium
CID 2412456
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051205

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium?
The IUPAC name of [(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium (CID 8852443) is [(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium.
What is the SMILES notation for [(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium?
The canonical SMILES for [(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium is C[C@H]([NH2+]C[C@@H](c1ccccc1)[NH+](C)C)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium?
The InChIKey is GUNZLIHKKYTFCQ-UGSOOPFHSA-P. The full InChI is InChI=1S/C19H23Cl2N3O/c1-13(19(25)23-17-10-15(20)9-16(21)11-17)22-12-18(24(2)3)14-7-5-4-6-8-14/h4-11,13,18,22H,12H2,1-3H3,(H,23,25)/p+2/t13-,18-/m0/s1.
What are the key properties of [(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium?
[(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium has a molecular weight of 382.34 g/mol, XLogP of 1.77, 7 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium is sourced from PubChem (CID 8852443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).