[2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium

C16H17Cl2N2O+ — CID 9251257

IUPAC[2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cccc(Cl)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-20(10-12-4-2-5-13(17)8-12)11-16(21)19-15-7-3-6-14(18)9-15/h2-9H,10-11H2,1H3,(H,19,21)/p+1
InChIKeyOPBGZBSUCHPCGA-UHFFFAOYSA-O
MW324.23 g/mol
LogP2.65
Rot. Bonds5

About [2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium

[2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium (PubChem CID 9251257) has the molecular formula C16H17Cl2N2O+ and a molecular weight of 324.23 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium
PubChem CID9251257
Molecular FormulaC16H17Cl2N2O+
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cccc(Cl)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-20(10-12-4-2-5-13(17)8-12)11-16(21)19-15-7-3-6-14(18)9-15/h2-9H,10-11H2,1H3,(H,19,21)/p+1
InChIKeyOPBGZBSUCHPCGA-UHFFFAOYSA-O
XLogP2.65
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chlorophenyl)methyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9251237
[2-(3-chloroanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965577
[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8961750
(3-chlorophenyl)methyl-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
CID 9251263
(2-anilino-2-oxoethyl)-benzyl-methylazanium
CID 8901163
[2-(3-chloroanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8550222
[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium
CID 9252675
[2-(3-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium
CID 9251576
(4-ethylphenyl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8908190
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
[2-(3-bromoanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 9024743

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium (CID 9251257) is [2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium is C[NH+](CC(=O)Nc1cccc(Cl)c1)Cc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium?
The InChIKey is OPBGZBSUCHPCGA-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H16Cl2N2O/c1-20(10-12-4-2-5-13(17)8-12)11-16(21)19-15-7-3-6-14(18)9-15/h2-9H,10-11H2,1H3,(H,19,21)/p+1.
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium?
[2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium has a molecular weight of 324.23 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl]-[(3-chlorophenyl)methyl]-methylazanium is sourced from PubChem (CID 9251257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).