2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide

C22H18Cl2N2O2 — CID 126215405

IUPAC2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
SMILESCc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1
InChIInChI=1S/C22H18Cl2N2O2/c1-15-7-9-17(23)12-20(15)25-13-16-8-10-21(19(24)11-16)28-14-22(27)26-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,26,27)/b25-13+
InChIKeyHQCDOVNOMCINAS-DHRITJCHSA-N
MW413.30 g/mol
LogP6.07
Rot. Bonds6

About 2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide

2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide (PubChem CID 126215405) has the molecular formula C22H18Cl2N2O2 and a molecular weight of 413.30 g/mol. Its IUPAC name is 2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
PubChem CID126215405
Molecular FormulaC22H18Cl2N2O2
Molecular Weight413.30 g/mol
Exact Mass412.07
IUPAC Name2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
SMILESCc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1
InChIInChI=1S/C22H18Cl2N2O2/c1-15-7-9-17(23)12-20(15)25-13-16-8-10-21(19(24)11-16)28-14-22(27)26-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,26,27)/b25-13+
InChIKeyHQCDOVNOMCINAS-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-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126384549
2-[2-bromo-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126220676
2-[2-chloro-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126386697
4-[[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126218388
2-[2-chloro-6-methoxy-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126218854
2-[2-chloro-4-[(E)-hydroxyiminomethyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 126254534
2-[2-chloro-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126219736
2-(2-chloro-4-formylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7341227
2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126206286
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126157153
2-[4-[(4-bromo-3-methylphenyl)iminomethyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide
CID 126387884
2-[2,6-dichloro-4-[(2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126218596

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide (CID 126215405) is 2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide is Cc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
The InChIKey is HQCDOVNOMCINAS-DHRITJCHSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2/c1-15-7-9-17(23)12-20(15)25-13-16-8-10-21(19(24)11-16)28-14-22(27)26-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,26,27)/b25-13+.
What are the key properties of 2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide?
2-[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide 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-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126215405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).