4-(2-cyano-6-methylphenoxy)benzamide

C15H12N2O2 — CID 107107475

IUPAC4-(2-cyano-6-methylphenoxy)benzamide
SMILESCc1cccc(C#N)c1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H12N2O2/c1-10-3-2-4-12(9-16)14(10)19-13-7-5-11(6-8-13)15(17)18/h2-8H,1H3,(H2,17,18)
InChIKeyUTSWVMYOWWJNPS-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.76
Rot. Bonds3

About 4-(2-cyano-6-methylphenoxy)benzamide

4-(2-cyano-6-methylphenoxy)benzamide (PubChem CID 107107475) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(2-cyano-6-methylphenoxy)benzamide.

Molecular Properties

Compound Name4-(2-cyano-6-methylphenoxy)benzamide
PubChem CID107107475
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-(2-cyano-6-methylphenoxy)benzamide
SMILESCc1cccc(C#N)c1Oc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H12N2O2/c1-10-3-2-4-12(9-16)14(10)19-13-7-5-11(6-8-13)15(17)18/h2-8H,1H3,(H2,17,18)
InChIKeyUTSWVMYOWWJNPS-UHFFFAOYSA-N
XLogP2.76
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylphenoxy)benzene-1,3-dicarbonitrile
CID 2806212
4-(2-amino-3-cyanophenoxy)benzamide
CID 104717169
3-(2,6-dicyanophenoxy)benzamide
CID 86818071
4-(2-cyanophenoxy)benzamide
CID 28825078
2-(4-amino-3-methylphenoxy)-3-methylbenzonitrile
CID 107111192
3-methyl-2-[4-(trifluoromethyl)phenoxy]benzonitrile
CID 107107494
2-(3,4-difluorophenoxy)-3-methylbenzonitrile
CID 107107508
(2-cyano-6-methylphenyl) acetate
CID 91679427
(2-cyano-6-methylphenoxy) hydrogen carbonate
CID 134267215
4-(4-carbamoylphenoxy)benzamide
CID 156597124
2-(4-aminophenoxy)benzene-1,3-dicarbonitrile
CID 2805873
4-(2,6-dimethylphenoxy)benzene-1,2-dicarbonitrile
CID 139067374

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-6-methylphenoxy)benzamide?
The IUPAC name of 4-(2-cyano-6-methylphenoxy)benzamide (CID 107107475) is 4-(2-cyano-6-methylphenoxy)benzamide.
What is the SMILES notation for 4-(2-cyano-6-methylphenoxy)benzamide?
The canonical SMILES for 4-(2-cyano-6-methylphenoxy)benzamide is Cc1cccc(C#N)c1Oc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(2-cyano-6-methylphenoxy)benzamide?
The InChIKey is UTSWVMYOWWJNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-3-2-4-12(9-16)14(10)19-13-7-5-11(6-8-13)15(17)18/h2-8H,1H3,(H2,17,18).
What are the key properties of 4-(2-cyano-6-methylphenoxy)benzamide?
4-(2-cyano-6-methylphenoxy)benzamide has a molecular weight of 252.27 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-6-methylphenoxy)benzamide is sourced from PubChem (CID 107107475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).