N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide

C16H13N3O2 — CID 789568

IUPACN-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)NN=Cc1ccccc1
InChIInChI=1S/C16H13N3O2/c17-10-14-8-4-5-9-15(14)21-12-16(20)19-18-11-13-6-2-1-3-7-13/h1-9,11H,12H2,(H,19,20)
InChIKeyGSDXBADOBHXOSW-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.09
Rot. Bonds5

About N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide

N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide (PubChem CID 789568) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
PubChem CID789568
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
SMILESN#Cc1ccccc1OCC(=O)NN=Cc1ccccc1
InChIInChI=1S/C16H13N3O2/c17-10-14-8-4-5-9-15(14)21-12-16(20)19-18-11-13-6-2-1-3-7-13/h1-9,11H,12H2,(H,19,20)
InChIKeyGSDXBADOBHXOSW-UHFFFAOYSA-N
XLogP2.09
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.09
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'}

Analyze N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 110209219
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(2-cyanophenoxy)acetamide
CID 5392514
2-(2-cyanophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 7032347
2-(2-cyanophenoxy)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 7038076
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-(2-cyanophenoxy)acetamide
CID 9467627
2-(2-cyanophenoxy)-N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 129438375
2-(2-cyanophenoxy)-N-[(2,6-dichlorophenyl)methylideneamino]acetamide
CID 780706
2-(2-cyanophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 9467550
2-(2-cyanophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 42995743
N-(benzylideneamino)-2-(2-hydroxyphenoxy)acetamide
CID 2308885
2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 3316109

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide (CID 789568) is N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide is N#Cc1ccccc1OCC(=O)NN=Cc1ccccc1.
What is the InChIKey of N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide?
The InChIKey is GSDXBADOBHXOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-10-14-8-4-5-9-15(14)21-12-16(20)19-18-11-13-6-2-1-3-7-13/h1-9,11H,12H2,(H,19,20).
What are the key properties of N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide?
N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide has a molecular weight of 279.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 789568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).