(2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride

C19H23Cl2N3O2 — CID 19979

IUPAC(2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride
SMILESCc1cccc(Cl)c1NC(=O)C[N+](C)(C)CC(=O)Nc1ccccc1.[Cl-]
InChIInChI=1S/C19H22ClN3O2.ClH/c1-14-8-7-11-16(20)19(14)22-18(25)13-23(2,3)12-17(24)21-15-9-5-4-6-10-15;/h4-11H,12-13H2,1-3H3,(H-,21,22,24,25);1H
InChIKeyPDEKURUQTKBWKN-UHFFFAOYSA-N
MW396.32 g/mol
LogP0.31
Rot. Bonds6

About (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride

(2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride (PubChem CID 19979) has the molecular formula C19H23Cl2N3O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride
PubChem CID19979
Molecular FormulaC19H23Cl2N3O2
Molecular Weight396.32 g/mol
Exact Mass395.12
IUPAC Name(2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride
SMILESCc1cccc(Cl)c1NC(=O)C[N+](C)(C)CC(=O)Nc1ccccc1.[Cl-]
InChIInChI=1S/C19H22ClN3O2.ClH/c1-14-8-7-11-16(20)19(14)22-18(25)13-23(2,3)12-17(24)21-15-9-5-4-6-10-15;/h4-11H,12-13H2,1-3H3,(H-,21,22,24,25);1H
InChIKeyPDEKURUQTKBWKN-UHFFFAOYSA-N
XLogP0.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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Clodacaine
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Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride?
The IUPAC name of (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride (CID 19979) is (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride.
What is the SMILES notation for (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride?
The canonical SMILES for (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride is Cc1cccc(Cl)c1NC(=O)C[N+](C)(C)CC(=O)Nc1ccccc1.[Cl-].
What is the InChIKey of (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride?
The InChIKey is PDEKURUQTKBWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2.ClH/c1-14-8-7-11-16(20)19(14)22-18(25)13-23(2,3)12-17(24)21-15-9-5-4-6-10-15;/h4-11H,12-13H2,1-3H3,(H-,21,22,24,25);1H.
What are the key properties of (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride?
(2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride has a molecular weight of 396.32 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl)-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-dimethylazanium chloride is sourced from PubChem (CID 19979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).