2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide

C12H16ClFN2O2 — CID 120831240

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide
SMILESCNC(C)CNC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H16ClFN2O2/c1-8(15-2)6-16-12(17)7-18-9-3-4-11(14)10(13)5-9/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyZMMDKDWDLNIVGV-UHFFFAOYSA-N
MW274.72 g/mol
LogP1.58
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide (PubChem CID 120831240) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide
PubChem CID120831240
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide
SMILESCNC(C)CNC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H16ClFN2O2/c1-8(15-2)6-16-12(17)7-18-9-3-4-11(14)10(13)5-9/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyZMMDKDWDLNIVGV-UHFFFAOYSA-N
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120653969
2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 8579822
2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119431591
2-(3-fluoro-4-nitrophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829431
(2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 9229551
2-(4-bromophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829879
N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120828955
(2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 119364207
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7751282
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate
CID 55559807
4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide
CID 120826819

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide (CID 120831240) is 2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide is CNC(C)CNC(=O)COc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide?
The InChIKey is ZMMDKDWDLNIVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-8(15-2)6-16-12(17)7-18-9-3-4-11(14)10(13)5-9/h3-5,8,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide has a molecular weight of 274.72 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide is sourced from PubChem (CID 120831240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).