N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide

C17H18F3N5O4 — CID 122253828

IUPACN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1nc(CNC(=O)c2ccc(OC(F)(F)F)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H18F3N5O4/c1-27-16-23-13(22-15(24-16)25-6-8-28-9-7-25)10-21-14(26)11-2-4-12(5-3-11)29-17(18,19)20/h2-5H,6-10H2,1H3,(H,21,26)
InChIKeySIURWIJZZIFNFV-UHFFFAOYSA-N
MW413.36 g/mol
LogP1.55
Rot. Bonds6

About N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide

N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 122253828) has the molecular formula C17H18F3N5O4 and a molecular weight of 413.36 g/mol. Its IUPAC name is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
PubChem CID122253828
Molecular FormulaC17H18F3N5O4
Molecular Weight413.36 g/mol
Exact Mass413.13
IUPAC NameN-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1nc(CNC(=O)c2ccc(OC(F)(F)F)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H18F3N5O4/c1-27-16-23-13(22-15(24-16)25-6-8-28-9-7-25)10-21-14(26)11-2-4-12(5-3-11)29-17(18,19)20/h2-5H,6-10H2,1H3,(H,21,26)
InChIKeySIURWIJZZIFNFV-UHFFFAOYSA-N
XLogP1.55
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide with MolForge

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Related Compounds

4-ethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253693
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122253835
3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253694
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122353733
4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253401
5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122253859
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide
CID 121137782
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122253837
4-methoxy-6-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 1273820
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide
CID 122253832
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-3-carboxamide
CID 122253553
1-(3,4-difluorophenyl)-3-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]urea
CID 122253781

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide (CID 122253828) is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide is COc1nc(CNC(=O)c2ccc(OC(F)(F)F)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is SIURWIJZZIFNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O4/c1-27-16-23-13(22-15(24-16)25-6-8-28-9-7-25)10-21-14(26)11-2-4-12(5-3-11)29-17(18,19)20/h2-5H,6-10H2,1H3,(H,21,26).
What are the key properties of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide?
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 413.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122253828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).