2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide

C10H10ClN3O2 — CID 107715955

IUPAC2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)COc1c(N)cccc1Cl
InChIInChI=1S/C10H10ClN3O2/c11-7-2-1-3-8(13)10(7)16-6-9(15)14-5-4-12/h1-3H,5-6,13H2,(H,14,15)
InChIKeyCCQVAGREEPVHCP-UHFFFAOYSA-N
MW239.66 g/mol
LogP0.94
Rot. Bonds4

About 2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide

2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide (PubChem CID 107715955) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide
PubChem CID107715955
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)COc1c(N)cccc1Cl
InChIInChI=1S/C10H10ClN3O2/c11-7-2-1-3-8(13)10(7)16-6-9(15)14-5-4-12/h1-3H,5-6,13H2,(H,14,15)
InChIKeyCCQVAGREEPVHCP-UHFFFAOYSA-N
XLogP0.94
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-2-(2,6-dichlorophenoxy)acetamide
CID 46568862
2-(2-amino-6-chlorophenoxy)-N-(2-chlorophenyl)acetamide
CID 107715816
2-(3-amino-2,6-dimethylphenoxy)-N-(cyanomethyl)acetamide
CID 62017573
2-(2-amino-6-bromo-4-chlorophenoxy)-N-(cyanomethyl)acetamide
CID 43379165
2-(2-amino-6-chlorophenoxy)-N-(2-methylphenyl)acetamide
CID 107716023
2-(2-amino-6-chlorophenyl)sulfinyl-N-(cyanomethyl)acetamide
CID 81185128
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide
CID 112607908
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(cyanomethyl)acetamide
CID 112614713
methyl 4-(2-amino-6-chlorophenoxy)butanoate
CID 107715861
[2-(cyanomethylamino)-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414455
2-[2-chloro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 115954541
2-[3-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-(cyanomethyl)acetamide
CID 114319727

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide (CID 107715955) is 2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide is N#CCNC(=O)COc1c(N)cccc1Cl.
What is the InChIKey of 2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide?
The InChIKey is CCQVAGREEPVHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-7-2-1-3-8(13)10(7)16-6-9(15)14-5-4-12/h1-3H,5-6,13H2,(H,14,15).
What are the key properties of 2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide?
2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide has a molecular weight of 239.66 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 107715955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).