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

C12H18ClFN2O2 — CID 119429392

IUPAC2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
SMILESCNCCCNC(=O)COc1ccc(F)cc1.Cl
InChIInChI=1S/C12H17FN2O2.ClH/c1-14-7-2-8-15-12(16)9-17-11-5-3-10(13)4-6-11;/h3-6,14H,2,7-9H2,1H3,(H,15,16);1H
InChIKeyDEWKSCSWISBLQZ-UHFFFAOYSA-N
MW276.74 g/mol
LogP1.35
Rot. Bonds7

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

2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride (PubChem CID 119429392) has the molecular formula C12H18ClFN2O2 and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
PubChem CID119429392
Molecular FormulaC12H18ClFN2O2
Molecular Weight276.74 g/mol
Exact Mass276.10
IUPAC Name2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
SMILESCNCCCNC(=O)COc1ccc(F)cc1.Cl
InChIInChI=1S/C12H17FN2O2.ClH/c1-14-7-2-8-15-12(16)9-17-11-5-3-10(13)4-6-11;/h3-6,14H,2,7-9H2,1H3,(H,15,16);1H
InChIKeyDEWKSCSWISBLQZ-UHFFFAOYSA-N
XLogP1.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 51.35
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-[3-(methylamino)propyl]acetamide
CID 119431591
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119429515
2-(4-fluorophenoxy)-N-[2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 110790579
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
N-[4-(4-fluorophenoxy)butyl]-2-(2-hydroxyphenoxy)acetamide
CID 78830111
2-[[2-(4-fluorophenoxy)acetyl]amino]acetate
CID 7100216
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-hydroxy-N-methylacetamide
CID 166263356
2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
CID 4920014
2-(4-fluorophenoxy)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]acetamide
CID 110718630
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride (CID 119429392) is 2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride is CNCCCNC(=O)COc1ccc(F)cc1.Cl.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride?
The InChIKey is DEWKSCSWISBLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2.ClH/c1-14-7-2-8-15-12(16)9-17-11-5-3-10(13)4-6-11;/h3-6,14H,2,7-9H2,1H3,(H,15,16);1H.
What are the key properties of 2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride?
2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride has a molecular weight of 276.74 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119429392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).