[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium

C22H21Cl2N2O+ — CID 9287075

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium
SMILESC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20Cl2N2O/c1-26(15-21(27)25-22-19(23)8-5-9-20(22)24)14-16-10-12-18(13-11-16)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,25,27)/p+1
InChIKeyNLRGFFDBQZDMAC-UHFFFAOYSA-O
MW400.33 g/mol
LogP4.31
Rot. Bonds6

About [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium

[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium (PubChem CID 9287075) has the molecular formula C22H21Cl2N2O+ and a molecular weight of 400.33 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium
PubChem CID9287075
Molecular FormulaC22H21Cl2N2O+
Molecular Weight400.33 g/mol
Exact Mass399.10
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium
SMILESC[NH+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H20Cl2N2O/c1-26(15-21(27)25-22-19(23)8-5-9-20(22)24)14-16-10-12-18(13-11-16)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,25,27)/p+1
InChIKeyNLRGFFDBQZDMAC-UHFFFAOYSA-O
XLogP4.31
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium 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

[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]azanium
CID 9287322
(2-anilino-2-oxoethyl)-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 9287215
[2-(2,6-dichloroanilino)-2-oxoethyl]-[(3,4-dimethoxyphenyl)methyl]-methylazanium
CID 2698907
benzyl-[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylazanium
CID 8541446
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024893
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
methyl-[2-oxo-2-(propylamino)ethyl]-[(4-phenylphenyl)methyl]azanium
CID 9302756
(2-anilino-2-oxoethyl)-benzyl-methylazanium
CID 8901163
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8907858
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9287296
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 27807429
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
CID 9252010

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium (CID 9287075) is [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium is C[NH+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium?
The InChIKey is NLRGFFDBQZDMAC-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H20Cl2N2O/c1-26(15-21(27)25-22-19(23)8-5-9-20(22)24)14-16-10-12-18(13-11-16)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3,(H,25,27)/p+1.
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium?
[2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium has a molecular weight of 400.33 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl]-methyl-[(4-phenylphenyl)methyl]azanium is sourced from PubChem (CID 9287075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).