[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium

C23H21Cl3N3O2+ — CID 2515495

IUPAC[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccc(Cl)cc1)[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C23H20Cl3N3O2/c1-29(14-21(30)27-19-9-7-16(24)8-10-19)22(15-5-3-2-4-6-15)23(31)28-20-12-17(25)11-18(26)13-20/h2-13,22H,14H2,1H3,(H,27,30)(H,28,31)/p+1/t22-/m0/s1
InChIKeySUPJQBXVMGPIEN-QFIPXVFZSA-O
MW477.80 g/mol
LogP4.48
Rot. Bonds7

About [2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium

[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium (PubChem CID 2515495) has the molecular formula C23H21Cl3N3O2+ and a molecular weight of 477.80 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium
PubChem CID2515495
Molecular FormulaC23H21Cl3N3O2+
Molecular Weight477.80 g/mol
Exact Mass476.07
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccc(Cl)cc1)[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C23H20Cl3N3O2/c1-29(14-21(30)27-19-9-7-16(24)8-10-19)22(15-5-3-2-4-6-15)23(31)28-20-12-17(25)11-18(26)13-20/h2-13,22H,14H2,1H3,(H,27,30)(H,28,31)/p+1/t22-/m0/s1
InChIKeySUPJQBXVMGPIEN-QFIPXVFZSA-O
XLogP4.48
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.80
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium with MolForge

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Related Compounds

[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712164
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[2-(3,4-dichloroanilino)-2-oxoethyl]-methylazanium
CID 8551653
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049751
[(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053034
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9040937
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium
CID 9053196
2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(3,5-dichlorophenyl)-2-phenylacetamide
CID 21169890
[2-(3,5-dichloroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2106406
[(1S)-2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9303058
[(1R)-2-[[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl]azaniumyl]-1-phenylethyl]-dimethylazanium
CID 8852443
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium
CID 9167007
dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium
CID 4173058

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium (CID 2515495) is [2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium is C[NH+](CC(=O)Nc1ccc(Cl)cc1)[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium?
The InChIKey is SUPJQBXVMGPIEN-QFIPXVFZSA-O. The full InChI is InChI=1S/C23H20Cl3N3O2/c1-29(14-21(30)27-19-9-7-16(24)8-10-19)22(15-5-3-2-4-6-15)23(31)28-20-12-17(25)11-18(26)13-20/h2-13,22H,14H2,1H3,(H,27,30)(H,28,31)/p+1/t22-/m0/s1.
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium?
[2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium has a molecular weight of 477.80 g/mol, XLogP of 4.48, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl]-[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-methylazanium is sourced from PubChem (CID 2515495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).