2,4-dichloro-N-[1-(3,3-difluoro-5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]benzamide

C16H13Cl2F2N3O3 — CID 144625641

IUPAC2,4-dichloro-N-[1-(3,3-difluoro-5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]benzamide
SMILESCC1CC(F)(F)C(n2ccc(NC(=O)c3ccc(Cl)cc3Cl)nc2=O)O1
InChIInChI=1S/C16H13Cl2F2N3O3/c1-8-7-16(19,20)14(26-8)23-5-4-12(22-15(23)25)21-13(24)10-3-2-9(17)6-11(10)18/h2-6,8,14H,7H2,1H3,(H,21,22,24,25)
InChIKeyFEVGXXUYHNTAKR-UHFFFAOYSA-N
MW404.20 g/mol
LogP3.75
Rot. Bonds3

About 2,4-dichloro-N-[1-(3,3-difluoro-5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]benzamide

2,4-dichloro-N-[1-(3,3-difluoro-5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]benzamide (PubChem CID 144625641) has the molecular formula C16H13Cl2F2N3O3 and a molecular weight of 404.20 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(3,3-difluoro-5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(3,3-difluoro-5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]benzamide
PubChem CID144625641
Molecular FormulaC16H13Cl2F2N3O3
Molecular Weight404.20 g/mol
Exact Mass403.03
IUPAC Name2,4-dichloro-N-[1-(3,3-difluoro-5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]benzamide
SMILESCC1CC(F)(F)C(n2ccc(NC(=O)c3ccc(Cl)cc3Cl)nc2=O)O1
InChIInChI=1S/C16H13Cl2F2N3O3/c1-8-7-16(19,20)14(26-8)23-5-4-12(22-15(23)25)21-13(24)10-3-2-9(17)6-11(10)18/h2-6,8,14H,7H2,1H3,(H,21,22,24,25)
InChIKeyFEVGXXUYHNTAKR-UHFFFAOYSA-N
XLogP3.75
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.20
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(3,3-difluoro-5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(3,3-difluoro-5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]benzamide (CID 144625641) is 2,4-dichloro-N-[1-(3,3-difluoro-5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(3,3-difluoro-5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(3,3-difluoro-5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]benzamide is CC1CC(F)(F)C(n2ccc(NC(=O)c3ccc(Cl)cc3Cl)nc2=O)O1.
What is the InChIKey of 2,4-dichloro-N-[1-(3,3-difluoro-5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]benzamide?
The InChIKey is FEVGXXUYHNTAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F2N3O3/c1-8-7-16(19,20)14(26-8)23-5-4-12(22-15(23)25)21-13(24)10-3-2-9(17)6-11(10)18/h2-6,8,14H,7H2,1H3,(H,21,22,24,25).
What are the key properties of 2,4-dichloro-N-[1-(3,3-difluoro-5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]benzamide?
2,4-dichloro-N-[1-(3,3-difluoro-5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 404.20 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(3,3-difluoro-5-methyloxolan-2-yl)-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 144625641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).