[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium

C17H18Cl3N2O+ — CID 9253909

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl3N2O/c1-11(15-7-6-14(19)8-16(15)20)21-10-17(23)22-9-12-2-4-13(18)5-3-12/h2-8,11,21H,9-10H2,1H3,(H,22,23)/p+1/t11-/m1/s1
InChIKeyPJGPCIKXUJUQIM-LLVKDONJSA-O
MW372.70 g/mol
LogP3.59
Rot. Bonds6

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium (PubChem CID 9253909) has the molecular formula C17H18Cl3N2O+ and a molecular weight of 372.70 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium
PubChem CID9253909
Molecular FormulaC17H18Cl3N2O+
Molecular Weight372.70 g/mol
Exact Mass371.05
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl3N2O/c1-11(15-7-6-14(19)8-16(15)20)21-10-17(23)22-9-12-2-4-13(18)5-3-12/h2-8,11,21H,9-10H2,1H3,(H,22,23)/p+1/t11-/m1/s1
InChIKeyPJGPCIKXUJUQIM-LLVKDONJSA-O
XLogP3.59
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.70
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium with MolForge

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Related Compounds

[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9335490
[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
CID 9253725
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]azanium
CID 9306946
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium
CID 9041069
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 9307272
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 9253961
[2-(2-chloro-4-methylanilino)-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium
CID 9254039
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9331600
[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9254131
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8594454
[2-(benzylamino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397161

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium (CID 9253909) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium is C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium?
The InChIKey is PJGPCIKXUJUQIM-LLVKDONJSA-O. The full InChI is InChI=1S/C17H17Cl3N2O/c1-11(15-7-6-14(19)8-16(15)20)21-10-17(23)22-9-12-2-4-13(18)5-3-12/h2-8,11,21H,9-10H2,1H3,(H,22,23)/p+1/t11-/m1/s1.
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium has a molecular weight of 372.70 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[(1R)-1-(2,4-dichlorophenyl)ethyl]azanium is sourced from PubChem (CID 9253909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).