2-[4-(3,4-dicyanophenoxy)phenyl]acetamide

C16H11N3O2 — CID 118858046

IUPAC2-[4-(3,4-dicyanophenoxy)phenyl]acetamide
SMILESN#Cc1ccc(Oc2ccc(CC(N)=O)cc2)cc1C#N
InChIInChI=1S/C16H11N3O2/c17-9-12-3-6-15(8-13(12)10-18)21-14-4-1-11(2-5-14)7-16(19)20/h1-6,8H,7H2,(H2,19,20)
InChIKeyWINCIZYSKWIULL-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.25
Rot. Bonds4

About 2-[4-(3,4-dicyanophenoxy)phenyl]acetamide

2-[4-(3,4-dicyanophenoxy)phenyl]acetamide (PubChem CID 118858046) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[4-(3,4-dicyanophenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dicyanophenoxy)phenyl]acetamide
PubChem CID118858046
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-[4-(3,4-dicyanophenoxy)phenyl]acetamide
SMILESN#Cc1ccc(Oc2ccc(CC(N)=O)cc2)cc1C#N
InChIInChI=1S/C16H11N3O2/c17-9-12-3-6-15(8-13(12)10-18)21-14-4-1-11(2-5-14)7-16(19)20/h1-6,8H,7H2,(H2,19,20)
InChIKeyWINCIZYSKWIULL-UHFFFAOYSA-N
XLogP2.25
TPSA99.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[4-(3,4-dicyanophenoxy)benzoyl]phenoxy]benzene-1,2-dicarbonitrile
CID 2170646
4-[4-[4-(fluoromethyl)phenoxy]phenoxy]benzene-1,2-dicarbonitrile
CID 15667765
2-[4-(4-cyano-3-methylphenoxy)phenyl]acetic acid
CID 81276255
4-[3,5-bis(3,4-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 71363047
benzene-1,2-diamine;4-(3,4-dicyanophenoxy)benzoic acid
CID 174727909
ethane;2-(4-phenoxyphenyl)acetamide
CID 142070944
4-(3,4-dicyanophenoxy)-N-[4-[[4-(3,4-dicyanophenoxy)benzoyl]amino]phenyl]benzamide
CID 10886540
[2-[4-(3,4-dicyanophenoxy)phenyl]-2-oxoethyl] benzoate
CID 3876519
4-[4-bis[4-(3,4-dicyanophenoxy)phenyl]phosphorylphenoxy]benzene-1,2-dicarbonitrile
CID 138615858
4-(3,5-diphenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667751
2-[4-[4-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 23353620
2,4-bis(3,4-dicyanophenoxy)benzoic acid
CID 163338949

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dicyanophenoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(3,4-dicyanophenoxy)phenyl]acetamide (CID 118858046) is 2-[4-(3,4-dicyanophenoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3,4-dicyanophenoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(3,4-dicyanophenoxy)phenyl]acetamide is N#Cc1ccc(Oc2ccc(CC(N)=O)cc2)cc1C#N.
What is the InChIKey of 2-[4-(3,4-dicyanophenoxy)phenyl]acetamide?
The InChIKey is WINCIZYSKWIULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c17-9-12-3-6-15(8-13(12)10-18)21-14-4-1-11(2-5-14)7-16(19)20/h1-6,8H,7H2,(H2,19,20).
What are the key properties of 2-[4-(3,4-dicyanophenoxy)phenyl]acetamide?
2-[4-(3,4-dicyanophenoxy)phenyl]acetamide has a molecular weight of 277.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dicyanophenoxy)phenyl]acetamide is sourced from PubChem (CID 118858046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).