2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide

C17H13N3O2 — CID 43824284

IUPAC2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
SMILESN#CCc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H13N3O2/c18-10-9-13-3-7-16(8-4-13)22-12-17(21)20-15-5-1-14(11-19)2-6-15/h1-8H,9,12H2,(H,20,21)
InChIKeyULYZEDCTIAZRER-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.64
Rot. Bonds5

About 2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide

2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide (PubChem CID 43824284) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
PubChem CID43824284
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
SMILESN#CCc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H13N3O2/c18-10-9-13-3-7-16(8-4-13)22-12-17(21)20-15-5-1-14(11-19)2-6-15/h1-8H,9,12H2,(H,20,21)
InChIKeyULYZEDCTIAZRER-UHFFFAOYSA-N
XLogP2.64
TPSA85.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
N-[4-(cyanomethyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 674702
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8977298
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 8941088
N-(4-bromophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 3473577
N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 9259898
N-(4-butylphenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671061
N-(3-amino-4-fluorophenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
CID 16784468
N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 112978228
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7605031

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide (CID 43824284) is 2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide is N#CCc1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide?
The InChIKey is ULYZEDCTIAZRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c18-10-9-13-3-7-16(8-4-13)22-12-17(21)20-15-5-1-14(11-19)2-6-15/h1-8H,9,12H2,(H,20,21).
What are the key properties of 2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide?
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide has a molecular weight of 291.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 43824284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).