2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide

C20H22Cl2N2O2 — CID 19165103

IUPAC2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
SMILESCc1ccc(C(C)(C)C)c(OCC(=O)NN=Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H22Cl2N2O2/c1-13-5-8-16(20(2,3)4)18(9-13)26-12-19(25)24-23-11-14-6-7-15(21)10-17(14)22/h5-11H,12H2,1-4H3,(H,24,25)
InChIKeyRRPUNERNYCKSMK-UHFFFAOYSA-N
MW393.31 g/mol
LogP5.13
Rot. Bonds5

About 2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide

2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide (PubChem CID 19165103) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
PubChem CID19165103
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
SMILESCc1ccc(C(C)(C)C)c(OCC(=O)NN=Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H22Cl2N2O2/c1-13-5-8-16(20(2,3)4)18(9-13)26-12-19(25)24-23-11-14-6-7-15(21)10-17(14)22/h5-11H,12H2,1-4H3,(H,24,25)
InChIKeyRRPUNERNYCKSMK-UHFFFAOYSA-N
XLogP5.13
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 7334234
2-(2-tert-butylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 19165091
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3546155
2-(2,4-dichlorophenoxy)-N-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]acetamide
CID 94838608
2-(2-tert-butyl-5-methylphenoxy)-N-(1H-pyrrol-2-ylmethylideneamino)acetamide
CID 137095239
2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 831066
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630450
2-(2,4-dichlorophenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6153860
2-(2-cyanophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 5406717
2-(2,5-dichlorophenoxy)-N-[(E)-(4-methylphenyl)methylideneamino]acetamide
CID 19189880
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135559947
2-(2-tert-butyl-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 725942

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide (CID 19165103) is 2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide is Cc1ccc(C(C)(C)C)c(OCC(=O)NN=Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is RRPUNERNYCKSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-13-5-8-16(20(2,3)4)18(9-13)26-12-19(25)24-23-11-14-6-7-15(21)10-17(14)22/h5-11H,12H2,1-4H3,(H,24,25).
What are the key properties of 2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide?
2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 393.31 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 19165103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).