[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium

C18H20Cl3N2O+ — CID 8916186

IUPAC[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium
SMILESC[NH+](C)[C@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C18H19Cl3N2O/c1-23(2)17(13-5-3-4-6-14(13)19)11-22-18(24)10-12-7-8-15(20)16(21)9-12/h3-9,17H,10-11H2,1-2H3,(H,22,24)/p+1/t17-/m1/s1
InChIKeyPMBFKMKEERSKSA-QGZVFWFLSA-O
MW386.73 g/mol
LogP3.19
Rot. Bonds6

About [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium

[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium (PubChem CID 8916186) has the molecular formula C18H20Cl3N2O+ and a molecular weight of 386.73 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium
PubChem CID8916186
Molecular FormulaC18H20Cl3N2O+
Molecular Weight386.73 g/mol
Exact Mass385.06
IUPAC Name[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium
SMILESC[NH+](C)[C@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C18H19Cl3N2O/c1-23(2)17(13-5-3-4-6-14(13)19)11-22-18(24)10-12-7-8-15(20)16(21)9-12/h3-9,17H,10-11H2,1-2H3,(H,22,24)/p+1/t17-/m1/s1
InChIKeyPMBFKMKEERSKSA-QGZVFWFLSA-O
XLogP3.19
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.73
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]ethyl]-dimethylazanium
CID 8916175
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344
2-(3,4-dichlorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81485987
2-chloro-N'-[2-(3,4-dichlorophenyl)acetyl]benzohydrazide
CID 2117207
methyl 2-chloro-3-[[2-(3,4-dichlorophenyl)acetyl]amino]propanoate
CID 103492991
2-[[[2-(3,4-dichlorophenyl)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65220573
[(1R)-1-(2-chlorophenyl)-2-[(4-cyanobenzoyl)amino]ethyl]-dimethylazanium
CID 9389581
3-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107261200
2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996675
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90623769
[(1R)-1-(2-chlorophenyl)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]ethyl]-dimethylazanium
CID 8916153
[(1R)-1-(2-chlorophenyl)-2-[(4-chlorophenyl)carbamothioylamino]ethyl]-dimethylazanium
CID 8727628

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium?
The IUPAC name of [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium (CID 8916186) is [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium is C[NH+](C)[C@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1Cl.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium?
The InChIKey is PMBFKMKEERSKSA-QGZVFWFLSA-O. The full InChI is InChI=1S/C18H19Cl3N2O/c1-23(2)17(13-5-3-4-6-14(13)19)11-22-18(24)10-12-7-8-15(20)16(21)9-12/h3-9,17H,10-11H2,1-2H3,(H,22,24)/p+1/t17-/m1/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium?
[(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium has a molecular weight of 386.73 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]ethyl]-dimethylazanium is sourced from PubChem (CID 8916186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).