2-(4-cyanophenoxy)-N-(3-hydroxy-4-methanimidoylphenyl)acetamide

C16H13N3O3 — CID 142003500

IUPAC2-(4-cyanophenoxy)-N-(3-hydroxy-4-methanimidoylphenyl)acetamide
SMILES[H]/N=C/c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1O
InChIInChI=1S/C16H13N3O3/c17-8-11-1-5-14(6-2-11)22-10-16(21)19-13-4-3-12(9-18)15(20)7-13/h1-7,9,18,20H,10H2,(H,19,21)/b18-9+
InChIKeyRGKJIHSMFXUBAJ-GIJQJNRQSA-N
MW295.30 g/mol
LogP2.28
Rot. Bonds5

About 2-(4-cyanophenoxy)-N-(3-hydroxy-4-methanimidoylphenyl)acetamide

2-(4-cyanophenoxy)-N-(3-hydroxy-4-methanimidoylphenyl)acetamide (PubChem CID 142003500) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(3-hydroxy-4-methanimidoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(3-hydroxy-4-methanimidoylphenyl)acetamide
PubChem CID142003500
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-(4-cyanophenoxy)-N-(3-hydroxy-4-methanimidoylphenyl)acetamide
SMILES[H]/N=C/c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1O
InChIInChI=1S/C16H13N3O3/c17-8-11-1-5-14(6-2-11)22-10-16(21)19-13-4-3-12(9-18)15(20)7-13/h1-7,9,18,20H,10H2,(H,19,21)/b18-9+
InChIKeyRGKJIHSMFXUBAJ-GIJQJNRQSA-N
XLogP2.28
TPSA106.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
2-(4-cyanophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 8744068
N-(4-cyanophenyl)-2-quinoxalin-6-yloxyacetamide
CID 3903681
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577
2-(4-cyanophenoxy)-N-(3-ethylphenyl)acetamide
CID 2100456
methyl 4-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]benzoate
CID 1034299
2-[4-(4-cyanophenyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 7966651
N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 112978228
3-[[2-(4-cyanophenoxy)acetyl]amino]-N-ethylbenzamide
CID 26171733

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(3-hydroxy-4-methanimidoylphenyl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(3-hydroxy-4-methanimidoylphenyl)acetamide (CID 142003500) is 2-(4-cyanophenoxy)-N-(3-hydroxy-4-methanimidoylphenyl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(3-hydroxy-4-methanimidoylphenyl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(3-hydroxy-4-methanimidoylphenyl)acetamide is [H]/N=C/c1ccc(NC(=O)COc2ccc(C#N)cc2)cc1O.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(3-hydroxy-4-methanimidoylphenyl)acetamide?
The InChIKey is RGKJIHSMFXUBAJ-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-8-11-1-5-14(6-2-11)22-10-16(21)19-13-4-3-12(9-18)15(20)7-13/h1-7,9,18,20H,10H2,(H,19,21)/b18-9+.
What are the key properties of 2-(4-cyanophenoxy)-N-(3-hydroxy-4-methanimidoylphenyl)acetamide?
2-(4-cyanophenoxy)-N-(3-hydroxy-4-methanimidoylphenyl)acetamide has a molecular weight of 295.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(3-hydroxy-4-methanimidoylphenyl)acetamide is sourced from PubChem (CID 142003500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).