cyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium

C20H23Cl2N2O2+ — CID 8770287

IUPACcyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH+](CC(=O)NCc2ccc(Cl)cc2Cl)C2CC2)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-26-18-8-2-14(3-9-18)12-24(17-6-7-17)13-20(25)23-11-15-4-5-16(21)10-19(15)22/h2-5,8-10,17H,6-7,11-13H2,1H3,(H,23,25)/p+1
InChIKeyAWFLXNQZTKTBGQ-UHFFFAOYSA-O
MW394.32 g/mol
LogP2.87
Rot. Bonds8

About cyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium

cyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium (PubChem CID 8770287) has the molecular formula C20H23Cl2N2O2+ and a molecular weight of 394.32 g/mol. Its IUPAC name is cyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
PubChem CID8770287
Molecular FormulaC20H23Cl2N2O2+
Molecular Weight394.32 g/mol
Exact Mass393.11
IUPAC Namecyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH+](CC(=O)NCc2ccc(Cl)cc2Cl)C2CC2)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-26-18-8-2-14(3-9-18)12-24(17-6-7-17)13-20(25)23-11-15-4-5-16(21)10-19(15)22/h2-5,8-10,17H,6-7,11-13H2,1H3,(H,23,25)/p+1
InChIKeyAWFLXNQZTKTBGQ-UHFFFAOYSA-O
XLogP2.87
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium with MolForge

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Related Compounds

cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]azanium
CID 8770051
cyclopropyl-[(4-methoxyphenyl)methyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8770486
cyclopropyl-[(4-fluorophenyl)methyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8872618
N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 9082319
N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 21173910
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713902
cyclopropyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
CID 8770863
2-(2,4-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33100291
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium
CID 8770037
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium
CID 8798739
N-[(2,4-dichlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045958

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of cyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium (CID 8770287) is cyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for cyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for cyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium is COc1ccc(C[NH+](CC(=O)NCc2ccc(Cl)cc2Cl)C2CC2)cc1.
What is the InChIKey of cyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is AWFLXNQZTKTBGQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-26-18-8-2-14(3-9-18)12-24(17-6-7-17)13-20(25)23-11-15-4-5-16(21)10-19(15)22/h2-5,8-10,17H,6-7,11-13H2,1H3,(H,23,25)/p+1.
What are the key properties of cyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium?
cyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium has a molecular weight of 394.32 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 8770287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).