N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide

C17H17BrClNO3 — CID 53267905

IUPACN-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide
SMILESCCOc1ccc(OC(C)C(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C17H17BrClNO3/c1-3-22-13-5-7-14(8-6-13)23-11(2)17(21)20-16-9-4-12(18)10-15(16)19/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyLWIJUKUNXRVTEY-UHFFFAOYSA-N
MW398.68 g/mol
LogP4.91
Rot. Bonds6

About N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide

N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide (PubChem CID 53267905) has the molecular formula C17H17BrClNO3 and a molecular weight of 398.68 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide
PubChem CID53267905
Molecular FormulaC17H17BrClNO3
Molecular Weight398.68 g/mol
Exact Mass397.01
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide
SMILESCCOc1ccc(OC(C)C(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C17H17BrClNO3/c1-3-22-13-5-7-14(8-6-13)23-11(2)17(21)20-16-9-4-12(18)10-15(16)19/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyLWIJUKUNXRVTEY-UHFFFAOYSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-bromophenoxy)-N-(2-chloro-4-methylphenyl)propanamide
CID 7760576
N-(4-bromo-2-chlorophenyl)-2-(3-bromophenoxy)propanamide
CID 53267481
N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267118
(2S)-N-(4-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)propanamide
CID 7959134
(2R)-N-(2,4-dichlorophenyl)-2-(4-ethylphenoxy)propanamide
CID 9236171
N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53268112
2-(4-chlorophenoxy)-N-(2,5-diethoxyphenyl)propanamide
CID 43000685
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152
N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide
CID 17312049
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenoxy)propanamide
CID 43078576
(2R)-N-(2,4-dichlorophenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238690
N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide (CID 53267905) is N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide is CCOc1ccc(OC(C)C(=O)Nc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide?
The InChIKey is LWIJUKUNXRVTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO3/c1-3-22-13-5-7-14(8-6-13)23-11(2)17(21)20-16-9-4-12(18)10-15(16)19/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide?
N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide has a molecular weight of 398.68 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide is sourced from PubChem (CID 53267905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).