3-(2,6-dicyanophenoxy)benzamide

C15H9N3O2 — CID 86818071

IUPAC3-(2,6-dicyanophenoxy)benzamide
SMILESN#Cc1cccc(C#N)c1Oc1cccc(C(N)=O)c1
InChIInChI=1S/C15H9N3O2/c16-8-11-4-1-5-12(9-17)14(11)20-13-6-2-3-10(7-13)15(18)19/h1-7H,(H2,18,19)
InChIKeyKINQBBDCAZATLX-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.32
Rot. Bonds3

About 3-(2,6-dicyanophenoxy)benzamide

3-(2,6-dicyanophenoxy)benzamide (PubChem CID 86818071) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-(2,6-dicyanophenoxy)benzamide.

Molecular Properties

Compound Name3-(2,6-dicyanophenoxy)benzamide
PubChem CID86818071
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name3-(2,6-dicyanophenoxy)benzamide
SMILESN#Cc1cccc(C#N)c1Oc1cccc(C(N)=O)c1
InChIInChI=1S/C15H9N3O2/c16-8-11-4-1-5-12(9-17)14(11)20-13-6-2-3-10(7-13)15(18)19/h1-7H,(H2,18,19)
InChIKeyKINQBBDCAZATLX-UHFFFAOYSA-N
XLogP2.32
TPSA99.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyano-6-methylphenoxy)benzamide
CID 107107475
2-(4-acetylphenoxy)benzene-1,3-dicarbonitrile
CID 2806212
2-(4-aminophenoxy)benzene-1,3-dicarbonitrile
CID 2805873
1-[4-(2,6-dicyanophenoxy)phenyl]-3-phenylurea
CID 2805877
3-[(4-cyanophenyl)methoxy]benzamide
CID 18354600
3-[4-(carbamoylamino)phenoxy]benzamide
CID 142646919
4-(2-amino-3-cyanophenoxy)benzamide
CID 104717169
4-(2-cyanophenoxy)benzamide
CID 28825078
3-amino-2-(4-cyano-3-fluorophenoxy)benzamide
CID 115935849
3-[2-(trifluoromethyl)phenoxy]benzamide
CID 133055658
4-(3-acetylphenoxy)-3,5-dimethylbenzonitrile
CID 79167595
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dicyanophenoxy)benzamide?
The IUPAC name of 3-(2,6-dicyanophenoxy)benzamide (CID 86818071) is 3-(2,6-dicyanophenoxy)benzamide.
What is the SMILES notation for 3-(2,6-dicyanophenoxy)benzamide?
The canonical SMILES for 3-(2,6-dicyanophenoxy)benzamide is N#Cc1cccc(C#N)c1Oc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(2,6-dicyanophenoxy)benzamide?
The InChIKey is KINQBBDCAZATLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c16-8-11-4-1-5-12(9-17)14(11)20-13-6-2-3-10(7-13)15(18)19/h1-7H,(H2,18,19).
What are the key properties of 3-(2,6-dicyanophenoxy)benzamide?
3-(2,6-dicyanophenoxy)benzamide has a molecular weight of 263.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dicyanophenoxy)benzamide is sourced from PubChem (CID 86818071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).