2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide

C17H12ClN3O2 — CID 8977298

IUPAC2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1ccc(NC(=O)COc2ccc(C#N)cc2Cl)cc1
InChIInChI=1S/C17H12ClN3O2/c18-15-9-13(10-20)3-6-16(15)23-11-17(22)21-14-4-1-12(2-5-14)7-8-19/h1-6,9H,7,11H2,(H,21,22)
InChIKeyDKBQQXDXRQRNOF-UHFFFAOYSA-N
MW325.76 g/mol
LogP3.30
Rot. Bonds5

About 2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide

2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 8977298) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID8977298
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1ccc(NC(=O)COc2ccc(C#N)cc2Cl)cc1
InChIInChI=1S/C17H12ClN3O2/c18-15-9-13(10-20)3-6-16(15)23-11-17(22)21-14-4-1-12(2-5-14)7-8-19/h1-6,9H,7,11H2,(H,21,22)
InChIKeyDKBQQXDXRQRNOF-UHFFFAOYSA-N
XLogP3.30
TPSA85.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-cyanophenoxy)-N-(4-methoxyphenyl)acetamide
CID 8975814
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
2-(2-chloro-5-methylphenoxy)-N-(4-cyanophenyl)acetamide
CID 7642831
2-(2-chloro-4-cyanophenoxy)-N-[(4-chlorophenyl)methyl]acetamide
CID 8975722
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 100800378
5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
CID 7893868
2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527
2-(2-chloro-4-cyanophenoxy)-N-propan-2-ylacetamide
CID 8976290
2-(2-chloro-4-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 8977367
2-(4-bromo-2-formylphenoxy)-N-[4-(cyanomethyl)phenyl]acetamide
CID 8862958
2-(2-chloro-4-cyanophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 8975756
2-(2-chloro-4-cyanophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 8976737

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide (CID 8977298) is 2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide is N#CCc1ccc(NC(=O)COc2ccc(C#N)cc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is DKBQQXDXRQRNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-15-9-13(10-20)3-6-16(15)23-11-17(22)21-14-4-1-12(2-5-14)7-8-19/h1-6,9H,7,11H2,(H,21,22).
What are the key properties of 2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide?
2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 325.76 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyanophenoxy)-N-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 8977298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).