N-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide

C12H14FNO2 — CID 165361892

IUPACN-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide
SMILESCC(=O)C(c1cccc(F)c1)N(C)C(C)=O
InChIInChI=1S/C12H14FNO2/c1-8(15)12(14(3)9(2)16)10-5-4-6-11(13)7-10/h4-7,12H,1-3H3
InChIKeyCVWWDXMXPCLKQW-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.93
Rot. Bonds3

About N-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide

N-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide (PubChem CID 165361892) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide
PubChem CID165361892
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC NameN-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide
SMILESCC(=O)C(c1cccc(F)c1)N(C)C(C)=O
InChIInChI=1S/C12H14FNO2/c1-8(15)12(14(3)9(2)16)10-5-4-6-11(13)7-10/h4-7,12H,1-3H3
InChIKeyCVWWDXMXPCLKQW-UHFFFAOYSA-N
XLogP1.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide?
The IUPAC name of N-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide (CID 165361892) is N-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide is CC(=O)C(c1cccc(F)c1)N(C)C(C)=O.
What is the InChIKey of N-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide?
The InChIKey is CVWWDXMXPCLKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8(15)12(14(3)9(2)16)10-5-4-6-11(13)7-10/h4-7,12H,1-3H3.
What are the key properties of N-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide?
N-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide has a molecular weight of 223.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-2-oxopropyl]-N-methylacetamide is sourced from PubChem (CID 165361892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).