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

C22H18Cl2N2O2 — CID 126218806

IUPAC2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)c1
InChIInChI=1S/C22H18Cl2N2O2/c1-15-6-5-9-18(10-15)26-21(27)14-28-22-19(23)11-16(12-20(22)24)13-25-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,26,27)/b25-13+
InChIKeyRHFVOPHZRRVSFL-DHRITJCHSA-N
MW413.30 g/mol
LogP6.07
Rot. Bonds6

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

2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126218806) has the molecular formula C22H18Cl2N2O2 and a molecular weight of 413.30 g/mol. Its IUPAC name is 2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID126218806
Molecular FormulaC22H18Cl2N2O2
Molecular Weight413.30 g/mol
Exact Mass412.07
IUPAC Name2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)c1
InChIInChI=1S/C22H18Cl2N2O2/c1-15-6-5-9-18(10-15)26-21(27)14-28-22-19(23)11-16(12-20(22)24)13-25-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,26,27)/b25-13+
InChIKeyRHFVOPHZRRVSFL-DHRITJCHSA-N
XLogP6.07
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.30
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2,6-dichloro-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126218596
N-[(E)-[3,5-dichloro-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126273170
2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126224022
2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126220525
2-[2-chloro-6-ethoxy-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215628
2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126220627
2-[2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126215354
2-[2-chloro-4-[(2,5-dimethylphenyl)iminomethyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 126206153
N-(3-methylphenyl)-2-[4-[(4-phenoxyphenyl)iminomethyl]phenoxy]acetamide
CID 126217084
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(3-methylphenyl)acetamide
CID 895523
2-[2,6-dichloro-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126266161
2-[2,6-dichloro-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126276605

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide (CID 126218806) is 2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)c1.
What is the InChIKey of 2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is RHFVOPHZRRVSFL-DHRITJCHSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2/c1-15-6-5-9-18(10-15)26-21(27)14-28-22-19(23)11-16(12-20(22)24)13-25-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,26,27)/b25-13+.
What are the key properties of 2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide?
2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 413.30 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126218806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).