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

C21H17Br2ClN2O2 — CID 126274300

IUPAC2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide
SMILESO=C(COc1c(Br)cc(CNc2ccc(Cl)cc2)cc1Br)Nc1ccccc1
InChIInChI=1S/C21H17Br2ClN2O2/c22-18-10-14(12-25-16-8-6-15(24)7-9-16)11-19(23)21(18)28-13-20(27)26-17-4-2-1-3-5-17/h1-11,25H,12-13H2,(H,26,27)
InChIKeyQGADYZXDBXXLNN-UHFFFAOYSA-N
MW524.64 g/mol
LogP6.49
Rot. Bonds7

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

2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide (PubChem CID 126274300) has the molecular formula C21H17Br2ClN2O2 and a molecular weight of 524.64 g/mol. Its IUPAC name is 2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide
PubChem CID126274300
Molecular FormulaC21H17Br2ClN2O2
Molecular Weight524.64 g/mol
Exact Mass521.93
IUPAC Name2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide
SMILESO=C(COc1c(Br)cc(CNc2ccc(Cl)cc2)cc1Br)Nc1ccccc1
InChIInChI=1S/C21H17Br2ClN2O2/c22-18-10-14(12-25-16-8-6-15(24)7-9-16)11-19(23)21(18)28-13-20(27)26-17-4-2-1-3-5-17/h1-11,25H,12-13H2,(H,26,27)
InChIKeyQGADYZXDBXXLNN-UHFFFAOYSA-N
XLogP6.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.64
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
CID 126265061
2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126257251
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
CID 107741251
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
N-[4-[(4-chlorophenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982593
2-[2,6-dibromo-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126257423
2-[2-bromo-4-[(4-chloroanilino)methyl]-6-ethoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126259843
2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide
CID 3910734
2-[2,6-dichloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126274683
2-[2-bromo-6-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539242
2-[2-(4-chloroanilino)-2-oxoethoxy]-N-phenylacetamide
CID 35270563

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide (CID 126274300) is 2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide is O=C(COc1c(Br)cc(CNc2ccc(Cl)cc2)cc1Br)Nc1ccccc1.
What is the InChIKey of 2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide?
The InChIKey is QGADYZXDBXXLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Br2ClN2O2/c22-18-10-14(12-25-16-8-6-15(24)7-9-16)11-19(23)21(18)28-13-20(27)26-17-4-2-1-3-5-17/h1-11,25H,12-13H2,(H,26,27).
What are the key properties of 2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide?
2-[2,6-dibromo-4-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide has a molecular weight of 524.64 g/mol, XLogP of 6.49, 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-[(4-chloroanilino)methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126274300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).