2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide

C21H18Br2N2O2 — CID 3910734

IUPAC2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccc(CNc2ccc(Br)cc2)cc1Br)Nc1ccccc1
InChIInChI=1S/C21H18Br2N2O2/c22-16-7-9-17(10-8-16)24-13-15-6-11-20(19(23)12-15)27-14-21(26)25-18-4-2-1-3-5-18/h1-12,24H,13-14H2,(H,25,26)
InChIKeyOLHBQBHQXOJPRO-UHFFFAOYSA-N
MW490.20 g/mol
LogP5.84
Rot. Bonds7

About 2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide

2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide (PubChem CID 3910734) has the molecular formula C21H18Br2N2O2 and a molecular weight of 490.20 g/mol. Its IUPAC name is 2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide
PubChem CID3910734
Molecular FormulaC21H18Br2N2O2
Molecular Weight490.20 g/mol
Exact Mass487.97
IUPAC Name2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide
SMILESO=C(COc1ccc(CNc2ccc(Br)cc2)cc1Br)Nc1ccccc1
InChIInChI=1S/C21H18Br2N2O2/c22-16-7-9-17(10-8-16)24-13-15-6-11-20(19(23)12-15)27-14-21(26)25-18-4-2-1-3-5-18/h1-12,24H,13-14H2,(H,25,26)
InChIKeyOLHBQBHQXOJPRO-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-bromo-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 5210106
2-[2-bromo-4-[(2,5-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126253222
2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
CID 126265061
2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide
CID 4593347
2-[2-bromo-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126383789
2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide
CID 126274300
2-[2-bromo-4-[(3,4-dimethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 3575641
2-[2-bromo-4-[(4-chloroanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126262894
2-[4-[(4-bromoanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 4308481
2-[2-bromo-4-[(4-methoxyanilino)methyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 126381021
2-(2,4-dibromophenoxy)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 17066936
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3917191

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide (CID 3910734) is 2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide is O=C(COc1ccc(CNc2ccc(Br)cc2)cc1Br)Nc1ccccc1.
What is the InChIKey of 2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide?
The InChIKey is OLHBQBHQXOJPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Br2N2O2/c22-16-7-9-17(10-8-16)24-13-15-6-11-20(19(23)12-15)27-14-21(26)25-18-4-2-1-3-5-18/h1-12,24H,13-14H2,(H,25,26).
What are the key properties of 2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide?
2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-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-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 3910734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).