[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride

C9H12Cl2N2O — CID 172855088

IUPAC[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride
SMILESCNC(=O)c1cc(Cl)cc(C)c1[NH3+].[Cl-]
InChIInChI=1S/C9H11ClN2O.ClH/c1-5-3-6(10)4-7(8(5)11)9(13)12-2;/h3-4H,11H2,1-2H3,(H,12,13);1H
InChIKeyYOZAUDMTHUZUFM-UHFFFAOYSA-N
MW235.11 g/mol
LogP-2.11
Rot. Bonds1

About [4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride

[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride (PubChem CID 172855088) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is [4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride.

Molecular Properties

Compound Name[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride
PubChem CID172855088
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride
SMILESCNC(=O)c1cc(Cl)cc(C)c1[NH3+].[Cl-]
InChIInChI=1S/C9H11ClN2O.ClH/c1-5-3-6(10)4-7(8(5)11)9(13)12-2;/h3-4H,11H2,1-2H3,(H,12,13);1H
InChIKeyYOZAUDMTHUZUFM-UHFFFAOYSA-N
XLogP-2.11
TPSA56.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 5-2.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride?
The IUPAC name of [4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride (CID 172855088) is [4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride.
What is the SMILES notation for [4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride?
The canonical SMILES for [4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride is CNC(=O)c1cc(Cl)cc(C)c1[NH3+].[Cl-].
What is the InChIKey of [4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride?
The InChIKey is YOZAUDMTHUZUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O.ClH/c1-5-3-6(10)4-7(8(5)11)9(13)12-2;/h3-4H,11H2,1-2H3,(H,12,13);1H.
What are the key properties of [4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride?
[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride has a molecular weight of 235.11 g/mol, XLogP of -2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride is sourced from PubChem (CID 172855088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).