2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide

C11H9Cl2N3O3 — CID 70091685

IUPAC2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
SMILESN#CC(NC(=O)COc1ccc(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C11H9Cl2N3O3/c12-6-1-2-9(7(13)3-6)19-5-10(17)16-8(4-14)11(15)18/h1-3,8H,5H2,(H2,15,18)(H,16,17)
InChIKeyJBHLCUMNQSTFMN-UHFFFAOYSA-N
MW302.12 g/mol
LogP0.87
Rot. Bonds5

About 2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide

2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide (PubChem CID 70091685) has the molecular formula C11H9Cl2N3O3 and a molecular weight of 302.12 g/mol. Its IUPAC name is 2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound Name2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
PubChem CID70091685
Molecular FormulaC11H9Cl2N3O3
Molecular Weight302.12 g/mol
Exact Mass301.00
IUPAC Name2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
SMILESN#CC(NC(=O)COc1ccc(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C11H9Cl2N3O3/c12-6-1-2-9(7(13)3-6)19-5-10(17)16-8(4-14)11(15)18/h1-3,8H,5H2,(H2,15,18)(H,16,17)
InChIKeyJBHLCUMNQSTFMN-UHFFFAOYSA-N
XLogP0.87
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 139932008
N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 9246074
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 595733
(2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-sulfanylpropanoic acid
CID 22217276
5-chloro-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 122187999
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94050777
5-(diaminomethylideneamino)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]pentanoic acid
CID 595726

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide?
The IUPAC name of 2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide (CID 70091685) is 2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide.
What is the SMILES notation for 2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide?
The canonical SMILES for 2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide is N#CC(NC(=O)COc1ccc(Cl)cc1Cl)C(N)=O.
What is the InChIKey of 2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide?
The InChIKey is JBHLCUMNQSTFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O3/c12-6-1-2-9(7(13)3-6)19-5-10(17)16-8(4-14)11(15)18/h1-3,8H,5H2,(H2,15,18)(H,16,17).
What are the key properties of 2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide?
2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide has a molecular weight of 302.12 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 70091685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).