2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide

C18H20BrFN2O2 — CID 119507598

IUPAC2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide
SMILESCCNCCNC(=O)C(Oc1ccc(F)cc1Br)c1ccccc1
InChIInChI=1S/C18H20BrFN2O2/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)
InChIKeyKBADAZKYKADRHQ-UHFFFAOYSA-N
MW395.27 g/mol
LogP3.43
Rot. Bonds8

About 2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide

2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide (PubChem CID 119507598) has the molecular formula C18H20BrFN2O2 and a molecular weight of 395.27 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide
PubChem CID119507598
Molecular FormulaC18H20BrFN2O2
Molecular Weight395.27 g/mol
Exact Mass394.07
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide
SMILESCCNCCNC(=O)C(Oc1ccc(F)cc1Br)c1ccccc1
InChIInChI=1S/C18H20BrFN2O2/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)
InChIKeyKBADAZKYKADRHQ-UHFFFAOYSA-N
XLogP3.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide 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-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 119506314
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579
2-(2-bromo-4-fluorophenoxy)-N-(1-phenylethyl)propanamide
CID 42990409
2-ethoxy-N-[2-(ethylamino)ethyl]-2-phenylacetamide
CID 119504919
2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 119439670
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119507213
2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 78873922
(2R)-2-(2-bromo-4-fluorophenoxy)-1-phenylpropan-1-one
CID 94185693
N-[[2-[(2-bromo-4-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62451825
2-(2-bromo-4-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 42990443
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
CID 47040437

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide (CID 119507598) is 2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide is CCNCCNC(=O)C(Oc1ccc(F)cc1Br)c1ccccc1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide?
The InChIKey is KBADAZKYKADRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN2O2/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).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide?
2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide has a molecular weight of 395.27 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide is sourced from PubChem (CID 119507598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).