2-(3-chloro-4-fluorophenyl)-2-(methylamino)acetamide

C9H10ClFN2O — CID 81144781

IUPAC2-(3-chloro-4-fluorophenyl)-2-(methylamino)acetamide
SMILESCNC(C(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H10ClFN2O/c1-13-8(9(12)14)5-2-3-7(11)6(10)4-5/h2-4,8,13H,1H3,(H2,12,14)
InChIKeyZUXLYCCLBRRHCK-UHFFFAOYSA-N
MW216.64 g/mol
LogP1.22
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-2-(methylamino)acetamide

2-(3-chloro-4-fluorophenyl)-2-(methylamino)acetamide (PubChem CID 81144781) has the molecular formula C9H10ClFN2O and a molecular weight of 216.64 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-(methylamino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-(methylamino)acetamide
PubChem CID81144781
Molecular FormulaC9H10ClFN2O
Molecular Weight216.64 g/mol
Exact Mass216.05
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-(methylamino)acetamide
SMILESCNC(C(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H10ClFN2O/c1-13-8(9(12)14)5-2-3-7(11)6(10)4-5/h2-4,8,13H,1H3,(H2,12,14)
InChIKeyZUXLYCCLBRRHCK-UHFFFAOYSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(methylamino)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(methylamino)acetamide (CID 81144781) is 2-(3-chloro-4-fluorophenyl)-2-(methylamino)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-(methylamino)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-(methylamino)acetamide is CNC(C(N)=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-(methylamino)acetamide?
The InChIKey is ZUXLYCCLBRRHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O/c1-13-8(9(12)14)5-2-3-7(11)6(10)4-5/h2-4,8,13H,1H3,(H2,12,14).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-(methylamino)acetamide?
2-(3-chloro-4-fluorophenyl)-2-(methylamino)acetamide has a molecular weight of 216.64 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-(methylamino)acetamide is sourced from PubChem (CID 81144781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).