2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide

C18H19Br2NO2 — CID 43911505

IUPAC2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C18H19Br2NO2/c1-3-16(13-7-5-4-6-8-13)21-17(22)11-23-18-12(2)9-14(19)10-15(18)20/h4-10,16H,3,11H2,1-2H3,(H,21,22)
InChIKeyBULRBDAIGQYHGR-UHFFFAOYSA-N
MW441.16 g/mol
LogP5.17
Rot. Bonds6

About 2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide

2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide (PubChem CID 43911505) has the molecular formula C18H19Br2NO2 and a molecular weight of 441.16 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide
PubChem CID43911505
Molecular FormulaC18H19Br2NO2
Molecular Weight441.16 g/mol
Exact Mass438.98
IUPAC Name2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C18H19Br2NO2/c1-3-16(13-7-5-4-6-8-13)21-17(22)11-23-18-12(2)9-14(19)10-15(18)20/h4-10,16H,3,11H2,1-2H3,(H,21,22)
InChIKeyBULRBDAIGQYHGR-UHFFFAOYSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.16
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dibromo-6-methylphenoxy)-N-(1-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

N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 17151209
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 98128992
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182
2-(2,4-dibromo-6-methylphenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide
CID 3326021
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150905
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide
CID 30399638
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide (CID 43911505) is 2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide is CCC(NC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1.
What is the InChIKey of 2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide?
The InChIKey is BULRBDAIGQYHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2NO2/c1-3-16(13-7-5-4-6-8-13)21-17(22)11-23-18-12(2)9-14(19)10-15(18)20/h4-10,16H,3,11H2,1-2H3,(H,21,22).
What are the key properties of 2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide?
2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide has a molecular weight of 441.16 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-methylphenoxy)-N-(1-phenylpropyl)acetamide is sourced from PubChem (CID 43911505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).