2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide

C19H20Cl2N2O2 — CID 7334234

IUPAC2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c1-19(2,3)15-6-4-5-7-17(15)25-12-18(24)23-22-11-13-8-9-14(20)10-16(13)21/h4-11H,12H2,1-3H3,(H,23,24)/b22-11-
InChIKeyBOPMVPSQQFIGGG-JJFYIABZSA-N
MW379.29 g/mol
LogP4.82
Rot. Bonds5

About 2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide

2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide (PubChem CID 7334234) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
PubChem CID7334234
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)N/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c1-19(2,3)15-6-4-5-7-17(15)25-12-18(24)23-22-11-13-8-9-14(20)10-16(13)21/h4-11H,12H2,1-3H3,(H,23,24)/b22-11-
InChIKeyBOPMVPSQQFIGGG-JJFYIABZSA-N
XLogP4.82
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.82
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-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 19165091
2-(2-tert-butyl-5-methylphenoxy)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 19165103
2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
CID 19189587
2-(2-cyanophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 5406717
2-(2,4-dichlorophenoxy)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6153860
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 3546155
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1381839
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 6899811
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 136688600
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-chloro-4-fluorophenyl)methylideneamino]acetamide
CID 4980952
N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 4980769
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 7334233

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide (CID 7334234) is 2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide is CC(C)(C)c1ccccc1OCC(=O)N/N=C\c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is BOPMVPSQQFIGGG-JJFYIABZSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-19(2,3)15-6-4-5-7-17(15)25-12-18(24)23-22-11-13-8-9-14(20)10-16(13)21/h4-11H,12H2,1-3H3,(H,23,24)/b22-11-.
What are the key properties of 2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide?
2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 379.29 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 7334234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).