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

C9H11F2N3O4 — CID 103770241

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCC(O)C(F)F
InChIInChI=1S/C9H11F2N3O4/c10-8(11)5(15)3-12-7(17)4-14-2-1-6(16)13-9(14)18/h1-2,5,8,15H,3-4H2,(H,12,17)(H,13,16,18)
InChIKeyIQCKQAAAYOMZBP-UHFFFAOYSA-N
MW263.20 g/mol
LogP-1.72
Rot. Bonds5

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

N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 103770241) has the molecular formula C9H11F2N3O4 and a molecular weight of 263.20 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID103770241
Molecular FormulaC9H11F2N3O4
Molecular Weight263.20 g/mol
Exact Mass263.07
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCC(O)C(F)F
InChIInChI=1S/C9H11F2N3O4/c10-8(11)5(15)3-12-7(17)4-14-2-1-6(16)13-9(14)18/h1-2,5,8,15H,3-4H2,(H,12,17)(H,13,16,18)
InChIKeyIQCKQAAAYOMZBP-UHFFFAOYSA-N
XLogP-1.72
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(2-hydroxyethyl)acetamide
CID 2064469
Acetamide, 2-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-N-(2-hydroxyethyl)-
CID 3150928
1-(3-Fluoro-2-hydroxypropyl)pyrimidine-2,4-dione
CID 10330097
2,2,2-trifluoro-N-[6-[3-(2-hydroxybutyl)-2,6-dioxopyrimidin-1-yl]hexyl]acetamide
CID 58979958
1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrimidine-2,4-dione
CID 171574887
1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrimidine-2,4-dione
CID 171574896
1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrimidine-2,4-dione
CID 174233674
5-[(2-Fluoroethyl)(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dione
CID 269002
2-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264831
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723344
2-(2,4-dioxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726405
6-Amino-5-[(3,3-difluoro-2-hydroxypropyl)amino]-1-ethylpyrimidine-2,4-dione
CID 103731271

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 103770241) is N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is IQCKQAAAYOMZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O4/c10-8(11)5(15)3-12-7(17)4-14-2-1-6(16)13-9(14)18/h1-2,5,8,15H,3-4H2,(H,12,17)(H,13,16,18).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 263.20 g/mol, XLogP of -1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 103770241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).