2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide

C19H20BrNO4 — CID 7568704

IUPAC2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
SMILESCOc1cc(Br)c(C=O)cc1OCC(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C19H20BrNO4/c1-13(14-6-4-3-5-7-14)10-21-19(23)12-25-18-8-15(11-22)16(20)9-17(18)24-2/h3-9,11,13H,10,12H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyKMWLEKWSAHFBRU-CYBMUJFWSA-N
MW406.28 g/mol
LogP3.57
Rot. Bonds8

About 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide

2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide (PubChem CID 7568704) has the molecular formula C19H20BrNO4 and a molecular weight of 406.28 g/mol. Its IUPAC name is 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
PubChem CID7568704
Molecular FormulaC19H20BrNO4
Molecular Weight406.28 g/mol
Exact Mass405.06
IUPAC Name2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
SMILESCOc1cc(Br)c(C=O)cc1OCC(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C19H20BrNO4/c1-13(14-6-4-3-5-7-14)10-21-19(23)12-25-18-8-15(11-22)16(20)9-17(18)24-2/h3-9,11,13H,10,12H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyKMWLEKWSAHFBRU-CYBMUJFWSA-N
XLogP3.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide 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-formylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7762724
2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 8582246
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9427335
2-(5-bromo-4-formyl-2-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 1309651
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylacetamide
CID 7568725
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-5-methylhexan-2-yl]acetamide
CID 8582263
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 7568660
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 8951230
2-(2-bromo-4-ethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164493
(2S)-2-[[2-(4-bromo-5-formyl-2-methoxyphenoxy)acetyl]amino]-N-propylpropanamide
CID 8582245
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8582252
2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7809627

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide (CID 7568704) is 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide is COc1cc(Br)c(C=O)cc1OCC(=O)NC[C@@H](C)c1ccccc1.
What is the InChIKey of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The InChIKey is KMWLEKWSAHFBRU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20BrNO4/c1-13(14-6-4-3-5-7-14)10-21-19(23)12-25-18-8-15(11-22)16(20)9-17(18)24-2/h3-9,11,13H,10,12H2,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide has a molecular weight of 406.28 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-[(2S)-2-phenylpropyl]acetamide is sourced from PubChem (CID 7568704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).