4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide

C16H15N3O2 — CID 65455621

IUPAC4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1Oc1ccc(C#N)cc1N
InChIInChI=1S/C16H15N3O2/c1-9-5-12(16(19)20)6-10(2)15(9)21-14-4-3-11(8-17)7-13(14)18/h3-7H,18H2,1-2H3,(H2,19,20)
InChIKeyUXGUKGBPKMEOQA-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.65
Rot. Bonds3

About 4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide

4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide (PubChem CID 65455621) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide
PubChem CID65455621
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1Oc1ccc(C#N)cc1N
InChIInChI=1S/C16H15N3O2/c1-9-5-12(16(19)20)6-10(2)15(9)21-14-4-3-11(8-17)7-13(14)18/h3-7H,18H2,1-2H3,(H2,19,20)
InChIKeyUXGUKGBPKMEOQA-UHFFFAOYSA-N
XLogP2.65
TPSA102.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide 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-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide
CID 65455237
2-(2-amino-4-cyanophenoxy)-3-methylbenzonitrile
CID 107111200
4-[(3-amino-4-cyano-2-pyridinyl)oxy]-3,5-dimethylbenzamide
CID 82795312
3-amino-4-(2,3,5-trimethylphenoxy)benzonitrile
CID 43518303
4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide
CID 66077328
2-(2-amino-4-cyanophenoxy)-6-fluorobenzamide
CID 43609531
4-(2-amino-4-methylphenoxy)-3-methylbenzonitrile
CID 61313612
ethyl 2-(2-amino-4-cyanophenoxy)acetate
CID 61388704
3-amino-4-(3-cyanophenoxy)-N-methylbenzamide
CID 78984165
4-(2-amino-4-fluorophenoxy)-3-methylbenzonitrile
CID 62368179
3-amino-4-pyridazin-3-yloxybenzonitrile
CID 62482847
3-amino-4-(4-chloro-2-methylphenoxy)benzamide
CID 43448530

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide?
The IUPAC name of 4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide (CID 65455621) is 4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide.
What is the SMILES notation for 4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide?
The canonical SMILES for 4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide is Cc1cc(C(N)=O)cc(C)c1Oc1ccc(C#N)cc1N.
What is the InChIKey of 4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide?
The InChIKey is UXGUKGBPKMEOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-9-5-12(16(19)20)6-10(2)15(9)21-14-4-3-11(8-17)7-13(14)18/h3-7H,18H2,1-2H3,(H2,19,20).
What are the key properties of 4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide?
4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide has a molecular weight of 281.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide is sourced from PubChem (CID 65455621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).