2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide

C16H15F2N3O3 — CID 18228701

IUPAC2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESN/C(=N\OCC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H15F2N3O3/c17-16(18)24-13-8-6-12(7-9-13)20-14(22)10-23-21-15(19)11-4-2-1-3-5-11/h1-9,16H,10H2,(H2,19,21)(H,20,22)
InChIKeyGRXFIVDEZLEOLX-UHFFFAOYSA-N
MW335.31 g/mol
LogP2.56
Rot. Bonds7

About 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide

2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 18228701) has the molecular formula C16H15F2N3O3 and a molecular weight of 335.31 g/mol. Its IUPAC name is 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID18228701
Molecular FormulaC16H15F2N3O3
Molecular Weight335.31 g/mol
Exact Mass335.11
IUPAC Name2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESN/C(=N\OCC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H15F2N3O3/c17-16(18)24-13-8-6-12(7-9-13)20-14(22)10-23-21-15(19)11-4-2-1-3-5-11/h1-9,16H,10H2,(H2,19,21)(H,20,22)
InChIKeyGRXFIVDEZLEOLX-UHFFFAOYSA-N
XLogP2.56
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
CID 7613199
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide
CID 75621361
butyl 4-[[2-[[amino(phenyl)methylidene]amino]oxyacetyl]amino]benzoate
CID 74267716
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7613256
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 2506763
2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(4-iodophenyl)acetamide
CID 76889487
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 18229188
N-[4-(difluoromethoxy)phenyl]-3,3-diphenylpropanamide
CID 7941321
N-[4-(difluoromethoxy)phenyl]-2-(2-hydroxyphenoxy)acetamide
CID 78770173
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703768
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-phenoxybutanoate
CID 7185737
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 8821313

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide (CID 18228701) is 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide is N/C(=N\OCC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1.
What is the InChIKey of 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is GRXFIVDEZLEOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O3/c17-16(18)24-13-8-6-12(7-9-13)20-14(22)10-23-21-15(19)11-4-2-1-3-5-11/h1-9,16H,10H2,(H2,19,21)(H,20,22).
What are the key properties of 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide?
2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 335.31 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino(phenyl)methylidene]amino]oxy-N-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 18228701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).