[2-(4-amino-2-chlorophenyl)-2-oxoethyl]-trimethylazanium chloride

C11H16Cl2N2O — CID 22766724

IUPAC[2-(4-amino-2-chlorophenyl)-2-oxoethyl]-trimethylazanium chloride
SMILESC[N+](C)(C)CC(=O)c1ccc(N)cc1Cl.[Cl-]
InChIInChI=1S/C11H15ClN2O.ClH/c1-14(2,3)7-11(15)9-5-4-8(13)6-10(9)12;/h4-6H,7H2,1-3H3,(H-,13,15);1H
InChIKeyXWIDJACVUITDBH-UHFFFAOYSA-N
MW263.17 g/mol
LogP-1.18
Rot. Bonds3

About [2-(4-amino-2-chlorophenyl)-2-oxoethyl]-trimethylazanium chloride

[2-(4-amino-2-chlorophenyl)-2-oxoethyl]-trimethylazanium chloride (PubChem CID 22766724) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is [2-(4-amino-2-chlorophenyl)-2-oxoethyl]-trimethylazanium chloride.

Molecular Properties

Compound Name[2-(4-amino-2-chlorophenyl)-2-oxoethyl]-trimethylazanium chloride
PubChem CID22766724
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name[2-(4-amino-2-chlorophenyl)-2-oxoethyl]-trimethylazanium chloride
SMILESC[N+](C)(C)CC(=O)c1ccc(N)cc1Cl.[Cl-]
InChIInChI=1S/C11H15ClN2O.ClH/c1-14(2,3)7-11(15)9-5-4-8(13)6-10(9)12;/h4-6H,7H2,1-3H3,(H-,13,15);1H
InChIKeyXWIDJACVUITDBH-UHFFFAOYSA-N
XLogP-1.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-chlorophenyl)-3-chloropropan-1-one
CID 118818913
1-(4-amino-2-chlorophenyl)dodecan-1-one
CID 65426442
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
2-(4-amino-2-chlorophenyl)-2-oxoacetaldehyde
CID 174493058
3,4-dichloroaniline;propanoic acid
CID 67914619
4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201
cyanomethyl 4-amino-2-chlorobenzoate
CID 61237944
1-(4-amino-2-chlorophenyl)-2-propylpentan-1-one
CID 82988049
4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
CID 43587105
2-hydroxyethyl 4-amino-2-chlorobenzoate
CID 61322216
5-amino-2-chlorobenzoyl chloride
CID 86092283

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-2-chlorophenyl)-2-oxoethyl]-trimethylazanium chloride?
The IUPAC name of [2-(4-amino-2-chlorophenyl)-2-oxoethyl]-trimethylazanium chloride (CID 22766724) is [2-(4-amino-2-chlorophenyl)-2-oxoethyl]-trimethylazanium chloride.
What is the SMILES notation for [2-(4-amino-2-chlorophenyl)-2-oxoethyl]-trimethylazanium chloride?
The canonical SMILES for [2-(4-amino-2-chlorophenyl)-2-oxoethyl]-trimethylazanium chloride is C[N+](C)(C)CC(=O)c1ccc(N)cc1Cl.[Cl-].
What is the InChIKey of [2-(4-amino-2-chlorophenyl)-2-oxoethyl]-trimethylazanium chloride?
The InChIKey is XWIDJACVUITDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O.ClH/c1-14(2,3)7-11(15)9-5-4-8(13)6-10(9)12;/h4-6H,7H2,1-3H3,(H-,13,15);1H.
What are the key properties of [2-(4-amino-2-chlorophenyl)-2-oxoethyl]-trimethylazanium chloride?
[2-(4-amino-2-chlorophenyl)-2-oxoethyl]-trimethylazanium chloride has a molecular weight of 263.17 g/mol, XLogP of -1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-2-chlorophenyl)-2-oxoethyl]-trimethylazanium chloride is sourced from PubChem (CID 22766724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).