2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride

C13H20Cl2N2O2 — CID 119431400

IUPAC2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
SMILESCNCCCNC(=O)C(C)Oc1ccccc1Cl.Cl
InChIInChI=1S/C13H19ClN2O2.ClH/c1-10(13(17)16-9-5-8-15-2)18-12-7-4-3-6-11(12)14;/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H,16,17);1H
InChIKeyIYIUSVVDPIFSFF-UHFFFAOYSA-N
MW307.22 g/mol
LogP2.25
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride

2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride (PubChem CID 119431400) has the molecular formula C13H20Cl2N2O2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
PubChem CID119431400
Molecular FormulaC13H20Cl2N2O2
Molecular Weight307.22 g/mol
Exact Mass306.09
IUPAC Name2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
SMILESCNCCCNC(=O)C(C)Oc1ccccc1Cl.Cl
InChIInChI=1S/C13H19ClN2O2.ClH/c1-10(13(17)16-9-5-8-15-2)18-12-7-4-3-6-11(12)14;/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H,16,17);1H
InChIKeyIYIUSVVDPIFSFF-UHFFFAOYSA-N
XLogP2.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride 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-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119434380
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
ethyl 4-[2-(2-chlorophenoxy)propanoylamino]butanoate
CID 60739618
2-(3,4-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430309
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111460590
2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
CID 115636700
(2R)-2-(2-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 94040489
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 43058809

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The IUPAC name of 2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride (CID 119431400) is 2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride is CNCCCNC(=O)C(C)Oc1ccccc1Cl.Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
The InChIKey is IYIUSVVDPIFSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2.ClH/c1-10(13(17)16-9-5-8-15-2)18-12-7-4-3-6-11(12)14;/h3-4,6-7,10,15H,5,8-9H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride?
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride has a molecular weight of 307.22 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride is sourced from PubChem (CID 119431400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).