N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide

C14H18FN3O3 — CID 115955367

IUPACN-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
SMILESCOCCNCc1cccc(F)c1OCC(=O)NCC#N
InChIInChI=1S/C14H18FN3O3/c1-20-8-7-17-9-11-3-2-4-12(15)14(11)21-10-13(19)18-6-5-16/h2-4,17H,6-10H2,1H3,(H,18,19)
InChIKeySEUUQSCCRCEDDB-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.58
Rot. Bonds9

About N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide

N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide (PubChem CID 115955367) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
PubChem CID115955367
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
SMILESCOCCNCc1cccc(F)c1OCC(=O)NCC#N
InChIInChI=1S/C14H18FN3O3/c1-20-8-7-17-9-11-3-2-4-12(15)14(11)21-10-13(19)18-6-5-16/h2-4,17H,6-10H2,1H3,(H,18,19)
InChIKeySEUUQSCCRCEDDB-UHFFFAOYSA-N
XLogP0.58
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide
CID 115953401
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 112610886
2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetonitrile
CID 112610885
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide
CID 112607908
ethyl 2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 115955408
N-(2-cyanoethyl)-2-[2-fluoro-6-(methylaminomethyl)phenoxy]acetamide
CID 112608784
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 112608108
3-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-2,2-dimethylpropanoic acid
CID 115955466
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
CID 115954882
N-(cyanomethyl)-2-[3-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63057420
N-ethyl-2-[2-methoxy-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide
CID 63056273
3-[[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]methyl]pentan-3-ol
CID 114492355

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide (CID 115955367) is N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide is COCCNCc1cccc(F)c1OCC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide?
The InChIKey is SEUUQSCCRCEDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-20-8-7-17-9-11-3-2-4-12(15)14(11)21-10-13(19)18-6-5-16/h2-4,17H,6-10H2,1H3,(H,18,19).
What are the key properties of N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide?
N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide has a molecular weight of 295.31 g/mol, XLogP of 0.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 115955367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).