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

C12H16ClFN2O2 — CID 119431591

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCNC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H16ClFN2O2/c1-15-5-2-6-16-12(17)8-18-9-3-4-11(14)10(13)7-9/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyJOCWHTRPDHMNLF-UHFFFAOYSA-N
MW274.72 g/mol
LogP1.58
Rot. Bonds7

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

2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide (PubChem CID 119431591) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
PubChem CID119431591
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
SMILESCNCCCNC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H16ClFN2O2/c1-15-5-2-6-16-12(17)8-18-9-3-4-11(14)10(13)7-9/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyJOCWHTRPDHMNLF-UHFFFAOYSA-N
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide
CID 120831240
2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429392
methyl 4-[2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]ethyl]benzoate
CID 55559807
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119429515
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120653969
2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112778726
2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 134002654
2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 8579822
2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide
CID 39490271
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]propanediamide
CID 47155227

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide (CID 119431591) is 2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide is CNCCCNC(=O)COc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide?
The InChIKey is JOCWHTRPDHMNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-15-5-2-6-16-12(17)8-18-9-3-4-11(14)10(13)7-9/h3-4,7,15H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide has a molecular weight of 274.72 g/mol, XLogP of 1.58, 7 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-[3-(methylamino)propyl]acetamide is sourced from PubChem (CID 119431591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).