2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride

C18H21Cl3N2O2 — CID 119440809

IUPAC2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)C(C)Oc1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C18H20Cl2N2O2.ClH/c1-3-21-11-13-7-4-5-9-15(13)22-18(23)12(2)24-16-10-6-8-14(19)17(16)20;/h4-10,12,21H,3,11H2,1-2H3,(H,22,23);1H
InChIKeyQELNJYPATPQNQI-UHFFFAOYSA-N
MW403.74 g/mol
LogP4.93
Rot. Bonds7

About 2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride

2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride (PubChem CID 119440809) has the molecular formula C18H21Cl3N2O2 and a molecular weight of 403.74 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
PubChem CID119440809
Molecular FormulaC18H21Cl3N2O2
Molecular Weight403.74 g/mol
Exact Mass402.07
IUPAC Name2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)C(C)Oc1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C18H20Cl2N2O2.ClH/c1-3-21-11-13-7-4-5-9-15(13)22-18(23)12(2)24-16-10-6-8-14(19)17(16)20;/h4-10,12,21H,3,11H2,1-2H3,(H,22,23);1H
InChIKeyQELNJYPATPQNQI-UHFFFAOYSA-N
XLogP4.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.74
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,3-dichlorophenoxy)-N-(2-methoxyphenyl)propanamide
CID 7372354
2-(2,3-dichlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46633814
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921
2-(4-chloro-2-nitrophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119440840
2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 119439670
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 119439866
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 92675918
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
(2R)-N-benzyl-2-(2,3-dichlorophenoxy)propanamide
CID 7542636
N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 4943122
(2R)-N-(2-chlorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 42082100

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride (CID 119440809) is 2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride is CCNCc1ccccc1NC(=O)C(C)Oc1cccc(Cl)c1Cl.Cl.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride?
The InChIKey is QELNJYPATPQNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2.ClH/c1-3-21-11-13-7-4-5-9-15(13)22-18(23)12(2)24-16-10-6-8-14(19)17(16)20;/h4-10,12,21H,3,11H2,1-2H3,(H,22,23);1H.
What are the key properties of 2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride?
2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride has a molecular weight of 403.74 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119440809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).