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

C9H11F2N3O3 — CID 113462689

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCC(F)(F)CO
InChIInChI=1S/C9H11F2N3O3/c10-9(11,6-15)5-13-7(16)4-14-3-1-2-12-8(14)17/h1-3,15H,4-6H2,(H,13,16)
InChIKeyXVUPZSPNXUBWER-UHFFFAOYSA-N
MW247.20 g/mol
LogP-1.01
Rot. Bonds5

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

N-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 113462689) has the molecular formula C9H11F2N3O3 and a molecular weight of 247.20 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID113462689
Molecular FormulaC9H11F2N3O3
Molecular Weight247.20 g/mol
Exact Mass247.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1cccnc1=O)NCC(F)(F)CO
InChIInChI=1S/C9H11F2N3O3/c10-9(11,6-15)5-13-7(16)4-14-3-1-2-12-8(14)17/h1-3,15H,4-6H2,(H,13,16)
InChIKeyXVUPZSPNXUBWER-UHFFFAOYSA-N
XLogP-1.01
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 40205261
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 103770132
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103915533
2-(2-oxopyrimidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113255795
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 113964726
N-(3-methoxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39891646
N-(2-hydroxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428125
N-(3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428127
N-(1-hydroxybutan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428130
N-(2-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428137
N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428142
N-(3-hydroxybutyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 64458726

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 113462689) is N-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide is O=C(Cn1cccnc1=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is XVUPZSPNXUBWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O3/c10-9(11,6-15)5-13-7(16)4-14-3-1-2-12-8(14)17/h1-3,15H,4-6H2,(H,13,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 247.20 g/mol, XLogP of -1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 113462689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).