[1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium

C9H11ClNO2+ — CID 4656134

IUPAC[1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
SMILESCOC(=O)C([NH3+])c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11H2,1H3/p+1
InChIKeyWEWZTDMEYWXSRG-UHFFFAOYSA-O
MW200.65 g/mol
LogP0.80
Rot. Bonds2

About [1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium

[1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium (PubChem CID 4656134) has the molecular formula C9H11ClNO2+ and a molecular weight of 200.65 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
PubChem CID4656134
Molecular FormulaC9H11ClNO2+
Molecular Weight200.65 g/mol
Exact Mass200.05
IUPAC Name[1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
SMILESCOC(=O)C([NH3+])c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11H2,1H3/p+1
InChIKeyWEWZTDMEYWXSRG-UHFFFAOYSA-O
XLogP0.80
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.65
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium
CID 7067068
[(1R)-2-methoxy-2-oxo-1-phenylethyl]azanium chloride
CID 10856539
methyl 2-(4-chlorophenyl)-3-oxopropanoate
CID 54175582
methyl 2-acetamido-2-(4-chlorophenyl)acetate
CID 45100786
methyl 3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-methylpropanoate
CID 81354159
methyl 3-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-methylpropanoate
CID 81351963
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
CID 28819369
[(1S)-1-(4-chlorophenyl)ethyl] carbamate
CID 174363782
[(4-chlorophenyl)-methoxymethyl]urea
CID 54239843
methyl 2-(4-chlorophenyl)-3-(2,2,2-trifluoroethylamino)propanoate
CID 66617993
methyl (2S,5S,6R)-2-(4-chlorophenyl)-5,6-dimethyl-4,7-dioxooctanoate
CID 161134849

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium?
The IUPAC name of [1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium (CID 4656134) is [1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium.
What is the SMILES notation for [1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium?
The canonical SMILES for [1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium is COC(=O)C([NH3+])c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium?
The InChIKey is WEWZTDMEYWXSRG-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10ClNO2/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11H2,1H3/p+1.
What are the key properties of [1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium?
[1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium has a molecular weight of 200.65 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-2-methoxy-2-oxoethyl]azanium is sourced from PubChem (CID 4656134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).