2-[2-(cyanoamino)-2-oxoethoxy]benzamide

C10H9N3O3 — CID 79194967

IUPAC2-[2-(cyanoamino)-2-oxoethoxy]benzamide
SMILESN#CNC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C10H9N3O3/c11-6-13-9(14)5-16-8-4-2-1-3-7(8)10(12)15/h1-4H,5H2,(H2,12,15)(H,13,14)
InChIKeyAGBQXIIRFJECEE-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.24
Rot. Bonds4

About 2-[2-(cyanoamino)-2-oxoethoxy]benzamide

2-[2-(cyanoamino)-2-oxoethoxy]benzamide (PubChem CID 79194967) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-[2-(cyanoamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-(cyanoamino)-2-oxoethoxy]benzamide
PubChem CID79194967
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-[2-(cyanoamino)-2-oxoethoxy]benzamide
SMILESN#CNC(=O)COc1ccccc1C(N)=O
InChIInChI=1S/C10H9N3O3/c11-6-13-9(14)5-16-8-4-2-1-3-7(8)10(12)15/h1-4H,5H2,(H2,12,15)(H,13,14)
InChIKeyAGBQXIIRFJECEE-UHFFFAOYSA-N
XLogP-0.24
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
N-cyano-2-(2-ethoxyphenoxy)acetamide
CID 79194263
2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzamide
CID 9085660
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
2-[2-(2-chloroanilino)-2-oxoethoxy]benzamide
CID 3481891
2-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethoxy]benzamide
CID 106164586
2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560
2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzamide
CID 8866061
2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethoxy]benzamide
CID 7642098

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyanoamino)-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-(cyanoamino)-2-oxoethoxy]benzamide (CID 79194967) is 2-[2-(cyanoamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-(cyanoamino)-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-(cyanoamino)-2-oxoethoxy]benzamide is N#CNC(=O)COc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-(cyanoamino)-2-oxoethoxy]benzamide?
The InChIKey is AGBQXIIRFJECEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-6-13-9(14)5-16-8-4-2-1-3-7(8)10(12)15/h1-4H,5H2,(H2,12,15)(H,13,14).
What are the key properties of 2-[2-(cyanoamino)-2-oxoethoxy]benzamide?
2-[2-(cyanoamino)-2-oxoethoxy]benzamide has a molecular weight of 219.20 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyanoamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 79194967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).