N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide

C14H15FN4O4 — CID 121137422

IUPACN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
SMILESCOc1nc(CNC(=O)COc2ccc(F)cc2)nc(OC)n1
InChIInChI=1S/C14H15FN4O4/c1-21-13-17-11(18-14(19-13)22-2)7-16-12(20)8-23-10-5-3-9(15)4-6-10/h3-6H,7-8H2,1-2H3,(H,16,20)
InChIKeyAQOWSLTXMQETSL-UHFFFAOYSA-N
MW322.30 g/mol
LogP0.72
Rot. Bonds7

About N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 121137422) has the molecular formula C14H15FN4O4 and a molecular weight of 322.30 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
PubChem CID121137422
Molecular FormulaC14H15FN4O4
Molecular Weight322.30 g/mol
Exact Mass322.11
IUPAC NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide
SMILESCOc1nc(CNC(=O)COc2ccc(F)cc2)nc(OC)n1
InChIInChI=1S/C14H15FN4O4/c1-21-13-17-11(18-14(19-13)22-2)7-16-12(20)8-23-10-5-3-9(15)4-6-10/h3-6H,7-8H2,1-2H3,(H,16,20)
InChIKeyAQOWSLTXMQETSL-UHFFFAOYSA-N
XLogP0.72
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenoxy)-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]acetamide
CID 122252894
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 121137428
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122322502
2-(4-fluorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9012523
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
2-(4-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959031
2-(4-fluorophenoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110660416
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122354280
2-(4-fluorophenoxy)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]acetamide
CID 110782859
2-(4-fluorophenoxy)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49345468
N'-[2-(4-fluorophenoxy)acetyl]-3-(4-methoxyphenyl)propanehydrazide
CID 26929871
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)acetamide
CID 9012519

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide (CID 121137422) is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide is COc1nc(CNC(=O)COc2ccc(F)cc2)nc(OC)n1.
What is the InChIKey of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is AQOWSLTXMQETSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O4/c1-21-13-17-11(18-14(19-13)22-2)7-16-12(20)8-23-10-5-3-9(15)4-6-10/h3-6H,7-8H2,1-2H3,(H,16,20).
What are the key properties of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide?
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 322.30 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 121137422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).