2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide

C23H23BrN2O2 — CID 126253222

IUPAC2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
SMILESCc1ccc(C)c(NCc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c1
InChIInChI=1S/C23H23BrN2O2/c1-16-8-9-17(2)21(12-16)25-14-18-10-11-22(20(24)13-18)28-15-23(27)26-19-6-4-3-5-7-19/h3-13,25H,14-15H2,1-2H3,(H,26,27)
InChIKeyAWFJUHLHOSBUEV-UHFFFAOYSA-N
MW439.35 g/mol
LogP5.70
Rot. Bonds7

About 2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide

2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide (PubChem CID 126253222) has the molecular formula C23H23BrN2O2 and a molecular weight of 439.35 g/mol. Its IUPAC name is 2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
PubChem CID126253222
Molecular FormulaC23H23BrN2O2
Molecular Weight439.35 g/mol
Exact Mass438.09
IUPAC Name2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
SMILESCc1ccc(C)c(NCc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c1
InChIInChI=1S/C23H23BrN2O2/c1-16-8-9-17(2)21(12-16)25-14-18-10-11-22(20(24)13-18)28-15-23(27)26-19-6-4-3-5-7-19/h3-13,25H,14-15H2,1-2H3,(H,26,27)
InChIKeyAWFJUHLHOSBUEV-UHFFFAOYSA-N
XLogP5.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.35
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 5210106
2-[2-bromo-4-[(5-chloro-2-methylanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126380816
2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide
CID 3910734
2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126257423
2-[2-bromo-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126380803
2-[4-[(5-chloro-2-methylanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 126264485
2-[2-bromo-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126383789
2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide
CID 4593347
2-[2-bromo-4-[(3,4-dimethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 3575641
N-[[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]methyl]-2,5-dimethylaniline
CID 126127091
2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 31857859
2-[2-bromo-4-[(2,5-dimethylanilino)methyl]-6-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126268346

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide (CID 126253222) is 2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide is Cc1ccc(C)c(NCc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c1.
What is the InChIKey of 2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide?
The InChIKey is AWFJUHLHOSBUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O2/c1-16-8-9-17(2)21(12-16)25-14-18-10-11-22(20(24)13-18)28-15-23(27)26-19-6-4-3-5-7-19/h3-13,25H,14-15H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide?
2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide has a molecular weight of 439.35 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126253222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).