2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide

C24H22F3N3O3 — CID 166375707

IUPAC2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(O/N=C(\N)c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H22F3N3O3/c1-16(23(31)29-20-11-9-19(10-12-20)24(25,26)27)33-30-22(28)18-7-13-21(14-8-18)32-15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H2,28,30)(H,29,31)
InChIKeyKHIHWKKCBJZFIG-UHFFFAOYSA-N
MW457.45 g/mol
LogP4.95
Rot. Bonds8

About 2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide

2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 166375707) has the molecular formula C24H22F3N3O3 and a molecular weight of 457.45 g/mol. Its IUPAC name is 2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID166375707
Molecular FormulaC24H22F3N3O3
Molecular Weight457.45 g/mol
Exact Mass457.16
IUPAC Name2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(O/N=C(\N)c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H22F3N3O3/c1-16(23(31)29-20-11-9-19(10-12-20)24(25,26)27)33-30-22(28)18-7-13-21(14-8-18)32-15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H2,28,30)(H,29,31)
InChIKeyKHIHWKKCBJZFIG-UHFFFAOYSA-N
XLogP4.95
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 54.95
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-[[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide
CID 72691935
4-[[(2R)-2-(4-phenylmethoxyphenoxy)propanoyl]amino]benzamide
CID 2557704
(2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide
CID 2478819
2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(4-phenylmethoxyphenyl)acetamide
CID 7613199
2-(4-acetylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4879204
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate
CID 7514975
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 4-methoxybenzoate
CID 7872698
1-(4-phenylmethoxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3514022
2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-(3,4-difluorophenyl)propanamide
CID 72691924
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline
CID 23393373
(2R)-2-(4-cyanophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 2541572

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide (CID 166375707) is 2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide is CC(O/N=C(\N)c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is KHIHWKKCBJZFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O3/c1-16(23(31)29-20-11-9-19(10-12-20)24(25,26)27)33-30-22(28)18-7-13-21(14-8-18)32-15-17-5-3-2-4-6-17/h2-14,16H,15H2,1H3,(H2,28,30)(H,29,31).
What are the key properties of 2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide?
2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 457.45 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino-(4-phenylmethoxyphenyl)methylidene]amino]oxy-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 166375707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).