2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide

C12H16ClFN2O2 — CID 119504495

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)C(C)Oc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O2/c1-8(12(17)16-6-5-15-2)18-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyZHHNIAYHUZGHPM-UHFFFAOYSA-N
MW274.72 g/mol
LogP1.58
Rot. Bonds6

About 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide

2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide (PubChem CID 119504495) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide
PubChem CID119504495
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)C(C)Oc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O2/c1-8(12(17)16-6-5-15-2)18-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyZHHNIAYHUZGHPM-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

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119434380
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120826698
6-[2-(2-chloro-4-fluorophenoxy)propanoylamino]hexanoic acid
CID 119220168
2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 86909514
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
CID 96533534
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 124753177
(2R)-2-(2-chloro-4-fluorophenoxy)-N-[2-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 96533309
(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide
CID 96532897
2-(2-bromo-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431551
(2S)-2-(2-chloro-4-fluorophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 97064313
2-[2-(2-chloro-4-fluorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 119199599
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[3-(2-methylimidazol-1-yl)propyl]propanamide
CID 95625436

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide (CID 119504495) is 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide is CNCCNC(=O)C(C)Oc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is ZHHNIAYHUZGHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-8(12(17)16-6-5-15-2)18-11-4-3-9(14)7-10(11)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide?
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide 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-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 119504495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).