N-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C10H13F2N3O4 — CID 103769915

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NCC(O)C(F)F)c1=O
InChIInChI=1S/C10H13F2N3O4/c1-14-8(18)2-3-15(10(14)19)5-7(17)13-4-6(16)9(11)12/h2-3,6,9,16H,4-5H2,1H3,(H,13,17)
InChIKeyNEBFLSHPVLCSLB-UHFFFAOYSA-N
MW277.23 g/mol
LogP-1.71
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 103769915) has the molecular formula C10H13F2N3O4 and a molecular weight of 277.23 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID103769915
Molecular FormulaC10H13F2N3O4
Molecular Weight277.23 g/mol
Exact Mass277.09
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NCC(O)C(F)F)c1=O
InChIInChI=1S/C10H13F2N3O4/c1-14-8(18)2-3-15(10(14)19)5-7(17)13-4-6(16)9(11)12/h2-3,6,9,16H,4-5H2,1H3,(H,13,17)
InChIKeyNEBFLSHPVLCSLB-UHFFFAOYSA-N
XLogP-1.71
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 103769915) is N-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cn1c(=O)ccn(CC(=O)NCC(O)C(F)F)c1=O.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is NEBFLSHPVLCSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O4/c1-14-8(18)2-3-15(10(14)19)5-7(17)13-4-6(16)9(11)12/h2-3,6,9,16H,4-5H2,1H3,(H,13,17).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 277.23 g/mol, XLogP of -1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 103769915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).