N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C19H20F3N3O6 — CID 67932894

IUPACN-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cn([C@@H]2O[C@H](CNC(=O)Cc3ccc(C(F)(F)F)cc3)C(O)C2O)c(=O)[nH]c1=O
InChIInChI=1S/C19H20F3N3O6/c1-9-8-25(18(30)24-16(9)29)17-15(28)14(27)12(31-17)7-23-13(26)6-10-2-4-11(5-3-10)19(20,21)22/h2-5,8,12,14-15,17,27-28H,6-7H2,1H3,(H,23,26)(H,24,29,30)/t12-,14?,15?,17-/m1/s1
InChIKeyYBYWWZUKPXJJOG-IGHZYHEGSA-N
MW443.38 g/mol
LogP-0.16
Rot. Bonds5

About N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 67932894) has the molecular formula C19H20F3N3O6 and a molecular weight of 443.38 g/mol. Its IUPAC name is N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID67932894
Molecular FormulaC19H20F3N3O6
Molecular Weight443.38 g/mol
Exact Mass443.13
IUPAC NameN-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cn([C@@H]2O[C@H](CNC(=O)Cc3ccc(C(F)(F)F)cc3)C(O)C2O)c(=O)[nH]c1=O
InChIInChI=1S/C19H20F3N3O6/c1-9-8-25(18(30)24-16(9)29)17-15(28)14(27)12(31-17)7-23-13(26)6-10-2-4-11(5-3-10)19(20,21)22/h2-5,8,12,14-15,17,27-28H,6-7H2,1H3,(H,23,26)(H,24,29,30)/t12-,14?,15?,17-/m1/s1
InChIKeyYBYWWZUKPXJJOG-IGHZYHEGSA-N
XLogP-0.16
TPSA133.65 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 67932894) is N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is Cc1cn([C@@H]2O[C@H](CNC(=O)Cc3ccc(C(F)(F)F)cc3)C(O)C2O)c(=O)[nH]c1=O.
What is the InChIKey of N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YBYWWZUKPXJJOG-IGHZYHEGSA-N. The full InChI is InChI=1S/C19H20F3N3O6/c1-9-8-25(18(30)24-16(9)29)17-15(28)14(27)12(31-17)7-23-13(26)6-10-2-4-11(5-3-10)19(20,21)22/h2-5,8,12,14-15,17,27-28H,6-7H2,1H3,(H,23,26)(H,24,29,30)/t12-,14?,15?,17-/m1/s1.
What are the key properties of N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 443.38 g/mol, XLogP of -0.16, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 67932894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).