2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide

C28H24Cl2N2O3 — CID 126266161

IUPAC2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2c(Cl)cc(CNc3ccc(Oc4ccccc4)cc3)cc2Cl)c1
InChIInChI=1S/C28H24Cl2N2O3/c1-19-6-5-7-22(14-19)32-27(33)18-34-28-25(29)15-20(16-26(28)30)17-31-21-10-12-24(13-11-21)35-23-8-3-2-4-9-23/h2-16,31H,17-18H2,1H3,(H,32,33)
InChIKeyIVBQKZSXEZYJMZ-UHFFFAOYSA-N
MW507.42 g/mol
LogP7.72
Rot. Bonds9

About 2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide

2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126266161) has the molecular formula C28H24Cl2N2O3 and a molecular weight of 507.42 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID126266161
Molecular FormulaC28H24Cl2N2O3
Molecular Weight507.42 g/mol
Exact Mass506.12
IUPAC Name2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2c(Cl)cc(CNc3ccc(Oc4ccccc4)cc3)cc2Cl)c1
InChIInChI=1S/C28H24Cl2N2O3/c1-19-6-5-7-22(14-19)32-27(33)18-34-28-25(29)15-20(16-26(28)30)17-31-21-10-12-24(13-11-21)35-23-8-3-2-4-9-23/h2-16,31H,17-18H2,1H3,(H,32,33)
InChIKeyIVBQKZSXEZYJMZ-UHFFFAOYSA-N
XLogP7.72
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.42
LogP ≤ 57.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126274306
2-[2,6-dichloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126274683
N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
CID 46045434
2-[2,6-dichloro-4-[(2,4-dimethylanilino)methyl]phenoxy]-N-phenylacetamide
CID 126261528
2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126218806
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882
N-(3-chloro-4-methylphenyl)-2-[2-ethoxy-6-iodo-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide
CID 126256639
2-[2-chloro-4-[(4-chloroanilino)methyl]-6-methoxyphenoxy]-N-phenylacetamide
CID 126257251
2-(2-chloro-5-methylphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 7917293
N-[(E)-[3,5-dichloro-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126273170
2-[4-(anilinomethyl)-2,6-dibromophenoxy]-N-phenylacetamide
CID 126265061
2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide
CID 126273736

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide (CID 126266161) is 2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2c(Cl)cc(CNc3ccc(Oc4ccccc4)cc3)cc2Cl)c1.
What is the InChIKey of 2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is IVBQKZSXEZYJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N2O3/c1-19-6-5-7-22(14-19)32-27(33)18-34-28-25(29)15-20(16-26(28)30)17-31-21-10-12-24(13-11-21)35-23-8-3-2-4-9-23/h2-16,31H,17-18H2,1H3,(H,32,33).
What are the key properties of 2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide?
2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 507.42 g/mol, XLogP of 7.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126266161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).