[2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium

C17H16Cl2N3O+ — CID 2658737

IUPAC[2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccccc1C#N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O/c1-22(10-12-6-7-14(18)15(19)8-12)11-17(23)21-16-5-3-2-4-13(16)9-20/h2-8H,10-11H2,1H3,(H,21,23)/p+1
InChIKeyGQIPBFGVBRYQGS-UHFFFAOYSA-O
MW349.24 g/mol
LogP2.52
Rot. Bonds5

About [2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium

[2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium (PubChem CID 2658737) has the molecular formula C17H16Cl2N3O+ and a molecular weight of 349.24 g/mol. Its IUPAC name is [2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium
PubChem CID2658737
Molecular FormulaC17H16Cl2N3O+
Molecular Weight349.24 g/mol
Exact Mass348.07
IUPAC Name[2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1ccccc1C#N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O/c1-22(10-12-6-7-14(18)15(19)8-12)11-17(23)21-16-5-3-2-4-13(16)9-20/h2-8H,10-11H2,1H3,(H,21,23)/p+1
InChIKeyGQIPBFGVBRYQGS-UHFFFAOYSA-O
XLogP2.52
TPSA57.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-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-cyanoanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028520
[2-(2-cyanoanilino)-2-oxoethyl]-[(3-fluoro-4-methoxyphenyl)methyl]-methylazanium
CID 9431380
[2-(3-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium
CID 9251576
(3,4-dichlorophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2714126
(3,4-dichlorophenyl)methyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 9251612
(5-bromothiophen-2-yl)methyl-[2-(2-cyanoanilino)-2-oxoethyl]-methylazanium
CID 9299186
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 2699474
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 2496920
(2-cyanophenyl)methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 8789289
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2462072
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
(3,4-dichlorophenyl)methyl-[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 2699988

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium?
The IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium (CID 2658737) is [2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium is C[NH+](CC(=O)Nc1ccccc1C#N)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium?
The InChIKey is GQIPBFGVBRYQGS-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H15Cl2N3O/c1-22(10-12-6-7-14(18)15(19)8-12)11-17(23)21-16-5-3-2-4-13(16)9-20/h2-8H,10-11H2,1H3,(H,21,23)/p+1.
What are the key properties of [2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium?
[2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium has a molecular weight of 349.24 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium is sourced from PubChem (CID 2658737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).