2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide

C10H13ClN2O — CID 130785554

IUPAC2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide
SMILESCNC(C(N)=O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-6-3-7(5-8(11)4-6)9(13-2)10(12)14/h3-5,9,13H,1-2H3,(H2,12,14)
InChIKeyXYYVEOXHMWSMAN-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.39
Rot. Bonds3

About 2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide

2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide (PubChem CID 130785554) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide
PubChem CID130785554
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide
SMILESCNC(C(N)=O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C10H13ClN2O/c1-6-3-7(5-8(11)4-6)9(13-2)10(12)14/h3-5,9,13H,1-2H3,(H2,12,14)
InChIKeyXYYVEOXHMWSMAN-UHFFFAOYSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide?
The IUPAC name of 2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide (CID 130785554) is 2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide.
What is the SMILES notation for 2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide?
The canonical SMILES for 2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide is CNC(C(N)=O)c1cc(C)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide?
The InChIKey is XYYVEOXHMWSMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-6-3-7(5-8(11)4-6)9(13-2)10(12)14/h3-5,9,13H,1-2H3,(H2,12,14).
What are the key properties of 2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide?
2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide has a molecular weight of 212.68 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide is sourced from PubChem (CID 130785554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).