2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide

C11H12FN3O2 — CID 112607908

IUPAC2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)COc1c(F)cccc1CN
InChIInChI=1S/C11H12FN3O2/c12-9-3-1-2-8(6-14)11(9)17-7-10(16)15-5-4-13/h1-3H,5-7,14H2,(H,15,16)
InChIKeyWVWNIVQJGNJVHE-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.30
Rot. Bonds5

About 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide

2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide (PubChem CID 112607908) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide
PubChem CID112607908
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)COc1c(F)cccc1CN
InChIInChI=1S/C11H12FN3O2/c12-9-3-1-2-8(6-14)11(9)17-7-10(16)15-5-4-13/h1-3H,5-7,14H2,(H,15,16)
InChIKeyWVWNIVQJGNJVHE-UHFFFAOYSA-N
XLogP0.30
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 112608108
N-(cyanomethyl)-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide
CID 115953401
N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 115955367
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(cyanomethyl)acetamide
CID 112614713
N-(2-cyanoethyl)-2-[2-fluoro-6-(methylaminomethyl)phenoxy]acetamide
CID 112608784
2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
CID 112608115
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
CID 115952056
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide
CID 115952038
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 115957884
2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-(2-cyanoethyl)acetamide
CID 60879269
[2-[(Z)-3-chloro-2-methylprop-2-enoxy]-3-fluorophenyl]methanamine
CID 106437085
2-(2-amino-6-chlorophenoxy)-N-(cyanomethyl)acetamide
CID 107715955

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide (CID 112607908) is 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide is N#CCNC(=O)COc1c(F)cccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide?
The InChIKey is WVWNIVQJGNJVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c12-9-3-1-2-8(6-14)11(9)17-7-10(16)15-5-4-13/h1-3H,5-7,14H2,(H,15,16).
What are the key properties of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide?
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide has a molecular weight of 237.23 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide is sourced from PubChem (CID 112607908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).