(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide

C17H17Br2NO2 — CID 1234542

IUPAC(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C17H17Br2NO2/c1-3-12-4-7-14(8-5-12)20-17(21)11(2)22-16-9-6-13(18)10-15(16)19/h4-11H,3H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyVGAGNKVFIWGXNF-LLVKDONJSA-N
MW427.14 g/mol
LogP5.18
Rot. Bonds5

About (2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide

(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide (PubChem CID 1234542) has the molecular formula C17H17Br2NO2 and a molecular weight of 427.14 g/mol. Its IUPAC name is (2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide
PubChem CID1234542
Molecular FormulaC17H17Br2NO2
Molecular Weight427.14 g/mol
Exact Mass424.96
IUPAC Name(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C17H17Br2NO2/c1-3-12-4-7-14(8-5-12)20-17(21)11(2)22-16-9-6-13(18)10-15(16)19/h4-11H,3H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyVGAGNKVFIWGXNF-LLVKDONJSA-N
XLogP5.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.14
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide 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

(2S)-N-(4-butylphenyl)-2-(2,4-dibromophenoxy)propanamide
CID 40736851
(2R)-2-(2,4-dibromophenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 1019999
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
2-(2,4-dibromophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 11839379
2-(2,4-dibromophenoxy)-N-(3-hydroxy-4-methylphenyl)propanamide
CID 5043403
(2S)-2-(2,4-dibromophenoxy)-N-naphthalen-2-ylpropanamide
CID 40736848
(2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017067
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dibromophenoxy)propanamide
CID 1234554
2-(2-bromo-4-chlorophenoxy)-N-[4-(propanoylamino)phenyl]propanamide
CID 17204918
2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide
CID 43887726
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
N-[4-[2-(2-bromo-4-chlorophenoxy)propanoylamino]phenyl]butanamide
CID 17202540

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide?
The IUPAC name of (2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide (CID 1234542) is (2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1.
What is the InChIKey of (2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide?
The InChIKey is VGAGNKVFIWGXNF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17Br2NO2/c1-3-12-4-7-14(8-5-12)20-17(21)11(2)22-16-9-6-13(18)10-15(16)19/h4-11H,3H2,1-2H3,(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide?
(2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide has a molecular weight of 427.14 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dibromophenoxy)-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 1234542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).