[2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium

C18H19Cl2FN3O2+ — CID 8552339

IUPAC[2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NCc1ccccc1F)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2FN3O2/c1-24(10-17(25)22-9-12-4-2-3-5-16(12)21)11-18(26)23-13-6-7-14(19)15(20)8-13/h2-8H,9-11H2,1H3,(H,22,25)(H,23,26)/p+1
InChIKeyFCSYYRLWFAEIEZ-UHFFFAOYSA-O
MW399.27 g/mol
LogP1.90
Rot. Bonds7

About [2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium

[2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium (PubChem CID 8552339) has the molecular formula C18H19Cl2FN3O2+ and a molecular weight of 399.27 g/mol. Its IUPAC name is [2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
PubChem CID8552339
Molecular FormulaC18H19Cl2FN3O2+
Molecular Weight399.27 g/mol
Exact Mass398.08
IUPAC Name[2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NCc1ccccc1F)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2FN3O2/c1-24(10-17(25)22-9-12-4-2-3-5-16(12)21)11-18(26)23-13-6-7-14(19)15(20)8-13/h2-8H,9-11H2,1H3,(H,22,25)(H,23,26)/p+1
InChIKeyFCSYYRLWFAEIEZ-UHFFFAOYSA-O
XLogP1.90
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium 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-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253501
(2-chlorophenyl)methyl-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 9058001
N-(3,4-dichlorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189570
3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
CID 24528585
2-(3,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 9196943
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9286490
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(2-methylphenyl)methyl]azanium
CID 8964028
N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946285
[2-(2,4-dichloroanilino)-2-oxoethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 9035151
[2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9198266
N-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetamide
CID 9099109
1-(3-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]thiourea
CID 8749644

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium (CID 8552339) is [2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NCc1ccccc1F)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium?
The InChIKey is FCSYYRLWFAEIEZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18Cl2FN3O2/c1-24(10-17(25)22-9-12-4-2-3-5-16(12)21)11-18(26)23-13-6-7-14(19)15(20)8-13/h2-8H,9-11H2,1H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of [2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium?
[2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium has a molecular weight of 399.27 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichloroanilino)-2-oxoethyl]-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8552339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).