2-(2-chloro-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride

C18H21Cl2FN2O2 — CID 119506314

IUPAC2-(2-chloro-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride
SMILESCCNCCNC(=O)C(Oc1ccc(F)cc1Cl)c1ccccc1.Cl
InChIInChI=1S/C18H20ClFN2O2.ClH/c1-2-21-10-11-22-18(23)17(13-6-4-3-5-7-13)24-16-9-8-14(20)12-15(16)19;/h3-9,12,17,21H,2,10-11H2,1H3,(H,22,23);1H
InChIKeyTXCOPCBNVKMIQE-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.75
Rot. Bonds8

About 2-(2-chloro-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride

2-(2-chloro-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride (PubChem CID 119506314) has the molecular formula C18H21Cl2FN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride
PubChem CID119506314
Molecular FormulaC18H21Cl2FN2O2
Molecular Weight387.28 g/mol
Exact Mass386.10
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride
SMILESCCNCCNC(=O)C(Oc1ccc(F)cc1Cl)c1ccccc1.Cl
InChIInChI=1S/C18H20ClFN2O2.ClH/c1-2-21-10-11-22-18(23)17(13-6-4-3-5-7-13)24-16-9-8-14(20)12-15(16)19;/h3-9,12,17,21H,2,10-11H2,1H3,(H,22,23);1H
InChIKeyTXCOPCBNVKMIQE-UHFFFAOYSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.75
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-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide
CID 119507598
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579
2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511544
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
2-ethoxy-N-[2-(ethylamino)ethyl]-2-phenylacetamide
CID 119504919
2-(2-chloro-4-fluorophenoxy)-N-[2-(methylamino)ethyl]propanamide
CID 119504495
4-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine
CID 55078163
N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 54880707
2-(2-chloro-4-methylphenoxy)-2-phenylacetohydrazide
CID 63569668
2-(2-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119434380
1-(2-chloro-5-fluorophenyl)-2-ethoxy-2-phenylethanone
CID 105394415
6-[2-(2-chloro-4-fluorophenoxy)propanoylamino]hexanoic acid
CID 119220168

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride (CID 119506314) is 2-(2-chloro-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride is CCNCCNC(=O)C(Oc1ccc(F)cc1Cl)c1ccccc1.Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride?
The InChIKey is TXCOPCBNVKMIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2.ClH/c1-2-21-10-11-22-18(23)17(13-6-4-3-5-7-13)24-16-9-8-14(20)12-15(16)19;/h3-9,12,17,21H,2,10-11H2,1H3,(H,22,23);1H.
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride?
2-(2-chloro-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride has a molecular weight of 387.28 g/mol, XLogP of 3.75, 8 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-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119506314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).