2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide

C21H18Br2N2O2 — CID 126265061

IUPAC2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
SMILESO=C(COc1c(Br)cc(CNc2ccccc2)cc1Br)Nc1ccccc1
InChIInChI=1S/C21H18Br2N2O2/c22-18-11-15(13-24-16-7-3-1-4-8-16)12-19(23)21(18)27-14-20(26)25-17-9-5-2-6-10-17/h1-12,24H,13-14H2,(H,25,26)
InChIKeyVYYABAIPPKYNDS-UHFFFAOYSA-N
MW490.20 g/mol
LogP5.84
Rot. Bonds7

About 2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide

2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide (PubChem CID 126265061) has the molecular formula C21H18Br2N2O2 and a molecular weight of 490.20 g/mol. Its IUPAC name is 2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
PubChem CID126265061
Molecular FormulaC21H18Br2N2O2
Molecular Weight490.20 g/mol
Exact Mass487.97
IUPAC Name2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
SMILESO=C(COc1c(Br)cc(CNc2ccccc2)cc1Br)Nc1ccccc1
InChIInChI=1S/C21H18Br2N2O2/c22-18-11-15(13-24-16-7-3-1-4-8-16)12-19(23)21(18)27-14-20(26)25-17-9-5-2-6-10-17/h1-12,24H,13-14H2,(H,25,26)
InChIKeyVYYABAIPPKYNDS-UHFFFAOYSA-N
XLogP5.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.20
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide
CID 126274300
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
CID 107741251
2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126257423
2-[4-(anilinomethyl)-2-bromo-6-ethoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66539473
2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126262765
2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide
CID 3910734
2-[2-bromo-6-methoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]-N-phenylacetamide
CID 169386318
2-[2-bromo-6-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539242
2-[2,6-dichloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126274683
2-[2-bromo-6-ethoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126256661
2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126257251
2-(2,4-dibromo-6-formylphenoxy)-N-phenylacetamide
CID 4770117

Frequently Asked Questions

What is the IUPAC name of 2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide?
The IUPAC name of 2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide (CID 126265061) is 2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide is O=C(COc1c(Br)cc(CNc2ccccc2)cc1Br)Nc1ccccc1.
What is the InChIKey of 2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide?
The InChIKey is VYYABAIPPKYNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Br2N2O2/c22-18-11-15(13-24-16-7-3-1-4-8-16)12-19(23)21(18)27-14-20(26)25-17-9-5-2-6-10-17/h1-12,24H,13-14H2,(H,25,26).
What are the key properties of 2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide?
2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide has a molecular weight of 490.20 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide is sourced from PubChem (CID 126265061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).