2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide

C23H22Br2N2O2 — CID 126257423

IUPAC2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
SMILESCc1ccc(NCc2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)c(C)c1
InChIInChI=1S/C23H22Br2N2O2/c1-15-8-9-21(16(2)10-15)26-13-17-11-19(24)23(20(25)12-17)29-14-22(28)27-18-6-4-3-5-7-18/h3-12,26H,13-14H2,1-2H3,(H,27,28)
InChIKeyPCPJYFUJDDPMMI-UHFFFAOYSA-N
MW518.25 g/mol
LogP6.46
Rot. Bonds7

About 2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide

2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide (PubChem CID 126257423) has the molecular formula C23H22Br2N2O2 and a molecular weight of 518.25 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
PubChem CID126257423
Molecular FormulaC23H22Br2N2O2
Molecular Weight518.25 g/mol
Exact Mass516.00
IUPAC Name2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
SMILESCc1ccc(NCc2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)c(C)c1
InChIInChI=1S/C23H22Br2N2O2/c1-15-8-9-21(16(2)10-15)26-13-17-11-19(24)23(20(25)12-17)29-14-22(28)27-18-6-4-3-5-7-18/h3-12,26H,13-14H2,1-2H3,(H,27,28)
InChIKeyPCPJYFUJDDPMMI-UHFFFAOYSA-N
XLogP6.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.25
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126261528
2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126274306
2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
CID 126265061
2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126253222
2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide
CID 126274300
2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126262765
2-[4-(anilinomethyl)-2-bromo-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539473
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
CID 107741251
2-[2-bromo-4-[(2,5-dimethylanilino)methyl]-6-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126268346
2-[2-bromo-6-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539242
2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126256661
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-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide (CID 126257423) is 2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide is Cc1ccc(NCc2cc(Br)c(OCC(=O)Nc3ccccc3)c(Br)c2)c(C)c1.
What is the InChIKey of 2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide?
The InChIKey is PCPJYFUJDDPMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Br2N2O2/c1-15-8-9-21(16(2)10-15)26-13-17-11-19(24)23(20(25)12-17)29-14-22(28)27-18-6-4-3-5-7-18/h3-12,26H,13-14H2,1-2H3,(H,27,28).
What are the key properties of 2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide?
2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide has a molecular weight of 518.25 g/mol, XLogP of 6.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126257423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).