N-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

C19H21F2N3O3 — CID 66804490

IUPACN-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILESCC(C)[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)C(F)(F)[C@@H]1C
InChIInChI=1S/C19H21F2N3O3/c1-11(2)15-12(3)19(20,21)17(27-15)24-10-9-14(23-18(24)26)22-16(25)13-7-5-4-6-8-13/h4-12,15,17H,1-3H3,(H,22,23,25,26)/t12-,15-,17-/m1/s1
InChIKeyAOJKEAPWXSAWII-SRCQZFHVSA-N
MW377.39 g/mol
LogP3.32
Rot. Bonds4

About N-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

N-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide (PubChem CID 66804490) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is N-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
PubChem CID66804490
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC NameN-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILESCC(C)[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)C(F)(F)[C@@H]1C
InChIInChI=1S/C19H21F2N3O3/c1-11(2)15-12(3)19(20,21)17(27-15)24-10-9-14(23-18(24)26)22-16(25)13-7-5-4-6-8-13/h4-12,15,17H,1-3H3,(H,22,23,25,26)/t12-,15-,17-/m1/s1
InChIKeyAOJKEAPWXSAWII-SRCQZFHVSA-N
XLogP3.32
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The IUPAC name of N-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide (CID 66804490) is N-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide is CC(C)[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)C(F)(F)[C@@H]1C.
What is the InChIKey of N-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The InChIKey is AOJKEAPWXSAWII-SRCQZFHVSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c1-11(2)15-12(3)19(20,21)17(27-15)24-10-9-14(23-18(24)26)22-16(25)13-7-5-4-6-8-13/h4-12,15,17H,1-3H3,(H,22,23,25,26)/t12-,15-,17-/m1/s1.
What are the key properties of N-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
N-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 377.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R,4R,5R)-3,3-difluoro-4-methyl-5-propan-2-yloxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 66804490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).