2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide

C24H25BrN2O3 — CID 126262765

IUPAC2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide
SMILESCCOc1cc(CNc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H25BrN2O3/c1-3-29-22-14-18(15-26-19-11-9-17(2)10-12-19)13-21(25)24(22)30-16-23(28)27-20-7-5-4-6-8-20/h4-14,26H,3,15-16H2,1-2H3,(H,27,28)
InChIKeyPMFDOXKZVJAJCR-UHFFFAOYSA-N
MW469.38 g/mol
LogP5.79
Rot. Bonds9

About 2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide

2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide (PubChem CID 126262765) has the molecular formula C24H25BrN2O3 and a molecular weight of 469.38 g/mol. Its IUPAC name is 2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide
PubChem CID126262765
Molecular FormulaC24H25BrN2O3
Molecular Weight469.38 g/mol
Exact Mass468.10
IUPAC Name2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide
SMILESCCOc1cc(CNc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1
InChIInChI=1S/C24H25BrN2O3/c1-3-29-22-14-18(15-26-19-11-9-17(2)10-12-19)13-21(25)24(22)30-16-23(28)27-20-7-5-4-6-8-20/h4-14,26H,3,15-16H2,1-2H3,(H,27,28)
InChIKeyPMFDOXKZVJAJCR-UHFFFAOYSA-N
XLogP5.79
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.38
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(anilinomethyl)-2-bromo-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539473
2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126256661
2-[2-bromo-4-[(4-bromoanilino)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539484
2-[4-[(4-acetamidoanilino)methyl]-2-bromo-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539421
2-[[3-bromo-5-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]propanoic acid
CID 66528754
2-[2-bromo-6-ethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 51994675
2-[2-bromo-6-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539242
2-[2-bromo-4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)methyl]-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539326
2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
CID 126265061
2-[2-chloro-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539439
2-[2-bromo-4-[(4-chloroanilino)methyl]-6-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126259843
2-[2-bromo-4-[(3,4-dimethylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539260

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide (CID 126262765) is 2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide is CCOc1cc(CNc2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide?
The InChIKey is PMFDOXKZVJAJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O3/c1-3-29-22-14-18(15-26-19-11-9-17(2)10-12-19)13-21(25)24(22)30-16-23(28)27-20-7-5-4-6-8-20/h4-14,26H,3,15-16H2,1-2H3,(H,27,28).
What are the key properties of 2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide?
2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide has a molecular weight of 469.38 g/mol, XLogP of 5.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126262765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).