2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride

C13H19Cl2FN2O2 — CID 120826698

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
SMILESCNC(C)CNC(=O)C(C)Oc1ccc(F)cc1Cl.Cl
InChIInChI=1S/C13H18ClFN2O2.ClH/c1-8(16-3)7-17-13(18)9(2)19-12-5-4-10(15)6-11(12)14;/h4-6,8-9,16H,7H2,1-3H3,(H,17,18);1H
InChIKeySRVOIKWSEPQLEK-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.39
Rot. Bonds6

About 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride

2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride (PubChem CID 120826698) has the molecular formula C13H19Cl2FN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
PubChem CID120826698
Molecular FormulaC13H19Cl2FN2O2
Molecular Weight325.21 g/mol
Exact Mass324.08
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
SMILESCNC(C)CNC(=O)C(C)Oc1ccc(F)cc1Cl.Cl
InChIInChI=1S/C13H18ClFN2O2.ClH/c1-8(16-3)7-17-13(18)9(2)19-12-5-4-10(15)6-11(12)14;/h4-6,8-9,16H,7H2,1-3H3,(H,17,18);1H
InChIKeySRVOIKWSEPQLEK-UHFFFAOYSA-N
XLogP2.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829559
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide
CID 119504495
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119434380
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830406
6-[2-(2-chloro-4-fluorophenoxy)propanoylamino]hexanoic acid
CID 119220168
(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2S)-4-methoxybutan-2-yl]propanamide
CID 96532897
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
CID 96533534
2-(2-chloro-4-fluorophenoxy)-N-(thiophen-2-ylmethyl)propanamide
CID 86909514
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
(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
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride (CID 120826698) is 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride is CNC(C)CNC(=O)C(C)Oc1ccc(F)cc1Cl.Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride?
The InChIKey is SRVOIKWSEPQLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2.ClH/c1-8(16-3)7-17-13(18)9(2)19-12-5-4-10(15)6-11(12)14;/h4-6,8-9,16H,7H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride?
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride has a molecular weight of 325.21 g/mol, XLogP of 2.39, 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)propyl]propanamide;hydrochloride is sourced from PubChem (CID 120826698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).