2-(3,5-dicyano-4-methylphenoxy)acetamide

C11H9N3O2 — CID 70807805

IUPAC2-(3,5-dicyano-4-methylphenoxy)acetamide
SMILESCc1c(C#N)cc(OCC(N)=O)cc1C#N
InChIInChI=1S/C11H9N3O2/c1-7-8(4-12)2-10(3-9(7)5-13)16-6-11(14)15/h2-3H,6H2,1H3,(H2,14,15)
InChIKeyJBLXHFBREXSDRR-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.60
Rot. Bonds3

About 2-(3,5-dicyano-4-methylphenoxy)acetamide

2-(3,5-dicyano-4-methylphenoxy)acetamide (PubChem CID 70807805) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-(3,5-dicyano-4-methylphenoxy)acetamide.

Molecular Properties

Compound Name2-(3,5-dicyano-4-methylphenoxy)acetamide
PubChem CID70807805
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-(3,5-dicyano-4-methylphenoxy)acetamide
SMILESCc1c(C#N)cc(OCC(N)=O)cc1C#N
InChIInChI=1S/C11H9N3O2/c1-7-8(4-12)2-10(3-9(7)5-13)16-6-11(14)15/h2-3H,6H2,1H3,(H2,14,15)
InChIKeyJBLXHFBREXSDRR-UHFFFAOYSA-N
XLogP0.60
TPSA99.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyano-4-hydroxyphenoxy)acetamide
CID 130019373
3-(2-amino-2-oxoethoxy)-5-methoxycarbonylbenzoic acid
CID 59608227
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
2-(4-cyano-3,5-dimethylphenoxy)acetic acid
CID 141147610
5-(1-amino-1-oxopropan-2-yl)oxy-3-cyano-2-methylbenzamide
CID 70807830
(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate
CID 2098514
ethyl 3-cyano-5-(difluoromethoxy)-2-methylbenzoate
CID 134651755
ethyl 3-cyano-2-methyl-5-(trifluoromethoxy)benzoate
CID 134633011
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-cyanobenzamide
CID 38380319
5-ethoxy-2-hydroxybenzene-1,3-dicarbonitrile
CID 165349723
2-[3-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]acetamide
CID 168585220
2-[3-[(4-bromo-2-cyanoanilino)methyl]phenoxy]acetamide
CID 133463538

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dicyano-4-methylphenoxy)acetamide?
The IUPAC name of 2-(3,5-dicyano-4-methylphenoxy)acetamide (CID 70807805) is 2-(3,5-dicyano-4-methylphenoxy)acetamide.
What is the SMILES notation for 2-(3,5-dicyano-4-methylphenoxy)acetamide?
The canonical SMILES for 2-(3,5-dicyano-4-methylphenoxy)acetamide is Cc1c(C#N)cc(OCC(N)=O)cc1C#N.
What is the InChIKey of 2-(3,5-dicyano-4-methylphenoxy)acetamide?
The InChIKey is JBLXHFBREXSDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-7-8(4-12)2-10(3-9(7)5-13)16-6-11(14)15/h2-3H,6H2,1H3,(H2,14,15).
What are the key properties of 2-(3,5-dicyano-4-methylphenoxy)acetamide?
2-(3,5-dicyano-4-methylphenoxy)acetamide has a molecular weight of 215.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dicyano-4-methylphenoxy)acetamide is sourced from PubChem (CID 70807805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).