2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide

C19H20F2N2O2 — CID 6901833

IUPAC2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H20F2N2O2/c1-19(2,3)14-5-7-15(8-6-14)25-12-18(24)23-22-11-13-4-9-16(20)17(21)10-13/h4-11H,12H2,1-3H3,(H,23,24)/b22-11+
InChIKeyXXOFICUCOHXXBL-SSDVNMTOSA-N
MW346.38 g/mol
LogP3.79
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide

2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide (PubChem CID 6901833) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide
PubChem CID6901833
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H20F2N2O2/c1-19(2,3)14-5-7-15(8-6-14)25-12-18(24)23-22-11-13-4-9-16(20)17(21)10-13/h4-11H,12H2,1-3H3,(H,23,24)/b22-11+
InChIKeyXXOFICUCOHXXBL-SSDVNMTOSA-N
XLogP3.79
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.79
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-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269
2-(4-tert-butylphenoxy)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 5419819
2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 2353273
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 9315634
2-(4-tert-butylphenoxy)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 6141982
2-(4-tert-butylphenoxy)-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 2305878
2-(4-tert-butylphenoxy)-N-[(2,4-difluorophenyl)methylideneamino]acetamide
CID 2423369
2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 6368055
2-(4-tert-butylphenoxy)-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]acetamide
CID 135643849
2-(4-tert-butylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898637
2-(4-tert-butylphenoxy)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 135643860
2-(4-tert-butylphenoxy)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]acetamide
CID 6901085

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide (CID 6901833) is 2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide is CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide?
The InChIKey is XXOFICUCOHXXBL-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-19(2,3)14-5-7-15(8-6-14)25-12-18(24)23-22-11-13-4-9-16(20)17(21)10-13/h4-11H,12H2,1-3H3,(H,23,24)/b22-11+.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide?
2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide has a molecular weight of 346.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6901833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).