2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide

C19H20F2N2O3 — CID 7644360

IUPAC2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CO/N=C\c1ccccc1OC(F)F
InChIInChI=1S/C19H20F2N2O3/c1-13(2)15-8-4-5-9-16(15)23-18(24)12-25-22-11-14-7-3-6-10-17(14)26-19(20)21/h3-11,13,19H,12H2,1-2H3,(H,23,24)/b22-11-
InChIKeyBZIXMKHOBVEHPM-JJFYIABZSA-N
MW362.38 g/mol
LogP4.40
Rot. Bonds8

About 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide

2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 7644360) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide
PubChem CID7644360
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)CO/N=C\c1ccccc1OC(F)F
InChIInChI=1S/C19H20F2N2O3/c1-13(2)15-8-4-5-9-16(15)23-18(24)12-25-22-11-14-7-3-6-10-17(14)26-19(20)21/h3-11,13,19H,12H2,1-2H3,(H,23,24)/b22-11-
InChIKeyBZIXMKHOBVEHPM-JJFYIABZSA-N
XLogP4.40
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide
CID 7703285
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7644362
N-(5-chloro-2-methoxyphenyl)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 7644389
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1S)-1-phenylethyl]acetamide
CID 7644363
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7644292
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7644378
2-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]oxyacetamide
CID 18292189
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide
CID 9353732
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(2-methoxyphenyl)methyl]acetamide
CID 7644287
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 7644461
N-propan-2-yl-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 78766744
2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
CID 5171892

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide (CID 7644360) is 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)CO/N=C\c1ccccc1OC(F)F.
What is the InChIKey of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is BZIXMKHOBVEHPM-JJFYIABZSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-13(2)15-8-4-5-9-16(15)23-18(24)12-25-22-11-14-7-3-6-10-17(14)26-19(20)21/h3-11,13,19H,12H2,1-2H3,(H,23,24)/b22-11-.
What are the key properties of 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide?
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 362.38 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 7644360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).