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

C15H17FN4O4 — CID 121137500

IUPACN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide
SMILESCOc1nc(CNC(=O)C(C)Oc2ccccc2F)nc(OC)n1
InChIInChI=1S/C15H17FN4O4/c1-9(24-11-7-5-4-6-10(11)16)13(21)17-8-12-18-14(22-2)20-15(19-12)23-3/h4-7,9H,8H2,1-3H3,(H,17,21)
InChIKeyXNNBDNULNUOOIY-UHFFFAOYSA-N
MW336.32 g/mol
LogP1.11
Rot. Bonds7

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

N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide (PubChem CID 121137500) has the molecular formula C15H17FN4O4 and a molecular weight of 336.32 g/mol. Its IUPAC name is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide
PubChem CID121137500
Molecular FormulaC15H17FN4O4
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC NameN-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide
SMILESCOc1nc(CNC(=O)C(C)Oc2ccccc2F)nc(OC)n1
InChIInChI=1S/C15H17FN4O4/c1-9(24-11-7-5-4-6-10(11)16)13(21)17-8-12-18-14(22-2)20-15(19-12)23-3/h4-7,9H,8H2,1-3H3,(H,17,21)
InChIKeyXNNBDNULNUOOIY-UHFFFAOYSA-N
XLogP1.11
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059
(2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819769
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
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2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385142
2-(2-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318363
1-(2,6-difluorophenyl)-3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]urea
CID 122252778
2-(2-fluorophenoxy)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78956697
2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 103771605
4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832248
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17068382
1-[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 8767826
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide?
The IUPAC name of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide (CID 121137500) is N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide.
What is the SMILES notation for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide?
The canonical SMILES for N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide is COc1nc(CNC(=O)C(C)Oc2ccccc2F)nc(OC)n1.
What is the InChIKey of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide?
The InChIKey is XNNBDNULNUOOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O4/c1-9(24-11-7-5-4-6-10(11)16)13(21)17-8-12-18-14(22-2)20-15(19-12)23-3/h4-7,9H,8H2,1-3H3,(H,17,21).
What are the key properties of N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide?
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide has a molecular weight of 336.32 g/mol, XLogP of 1.11, 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-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 121137500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).