[5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium

C9H12ClN2O2+ — CID 59068111

IUPAC[5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium
SMILESCN(C)C(=O)c1cc(Cl)cc([NH3+])c1O
InChIInChI=1S/C9H11ClN2O2/c1-12(2)9(14)6-3-5(10)4-7(11)8(6)13/h3-4,13H,11H2,1-2H3/p+1
InChIKeyOHFCBQGSGUSJMB-UHFFFAOYSA-O
MW215.66 g/mol
LogP0.62
Rot. Bonds1

About [5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium

[5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium (PubChem CID 59068111) has the molecular formula C9H12ClN2O2+ and a molecular weight of 215.66 g/mol. Its IUPAC name is [5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium.

Molecular Properties

Compound Name[5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium
PubChem CID59068111
Molecular FormulaC9H12ClN2O2+
Molecular Weight215.66 g/mol
Exact Mass215.06
IUPAC Name[5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium
SMILESCN(C)C(=O)c1cc(Cl)cc([NH3+])c1O
InChIInChI=1S/C9H11ClN2O2/c1-12(2)9(14)6-3-5(10)4-7(11)8(6)13/h3-4,13H,11H2,1-2H3/p+1
InChIKeyOHFCBQGSGUSJMB-UHFFFAOYSA-O
XLogP0.62
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium?
The IUPAC name of [5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium (CID 59068111) is [5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium.
What is the SMILES notation for [5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium?
The canonical SMILES for [5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium is CN(C)C(=O)c1cc(Cl)cc([NH3+])c1O.
What is the InChIKey of [5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium?
The InChIKey is OHFCBQGSGUSJMB-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11ClN2O2/c1-12(2)9(14)6-3-5(10)4-7(11)8(6)13/h3-4,13H,11H2,1-2H3/p+1.
What are the key properties of [5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium?
[5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium has a molecular weight of 215.66 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(dimethylcarbamoyl)-2-hydroxyphenyl]azanium is sourced from PubChem (CID 59068111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).