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

C9H11FN2O — CID 47003263

IUPAC2-(3-fluorophenyl)-2-(methylamino)acetamide
SMILESCNC(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C9H11FN2O/c1-12-8(9(11)13)6-3-2-4-7(10)5-6/h2-5,8,12H,1H3,(H2,11,13)
InChIKeyOTRJWFIPDLSIIB-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.57
Rot. Bonds3

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

2-(3-fluorophenyl)-2-(methylamino)acetamide (PubChem CID 47003263) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-(methylamino)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-(methylamino)acetamide
PubChem CID47003263
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name2-(3-fluorophenyl)-2-(methylamino)acetamide
SMILESCNC(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C9H11FN2O/c1-12-8(9(11)13)6-3-2-4-7(10)5-6/h2-5,8,12H,1H3,(H2,11,13)
InChIKeyOTRJWFIPDLSIIB-UHFFFAOYSA-N
XLogP0.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-(methylamino)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-2-(methylamino)acetamide (CID 47003263) is 2-(3-fluorophenyl)-2-(methylamino)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-2-(methylamino)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-2-(methylamino)acetamide is CNC(C(N)=O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-(methylamino)acetamide?
The InChIKey is OTRJWFIPDLSIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-12-8(9(11)13)6-3-2-4-7(10)5-6/h2-5,8,12H,1H3,(H2,11,13).
What are the key properties of 2-(3-fluorophenyl)-2-(methylamino)acetamide?
2-(3-fluorophenyl)-2-(methylamino)acetamide has a molecular weight of 182.20 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-(methylamino)acetamide is sourced from PubChem (CID 47003263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).