N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

C10H14F2N2O4 — CID 104857888

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCC(F)(F)CO
InChIInChI=1S/C10H14F2N2O4/c11-10(12,6-15)5-13-7(16)3-4-14-8(17)1-2-9(14)18/h15H,1-6H2,(H,13,16)
InChIKeyXVJIDIIXUCCVDQ-UHFFFAOYSA-N
MW264.23 g/mol
LogP-0.73
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide

N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 104857888) has the molecular formula C10H14F2N2O4 and a molecular weight of 264.23 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID104857888
Molecular FormulaC10H14F2N2O4
Molecular Weight264.23 g/mol
Exact Mass264.09
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCC(F)(F)CO
InChIInChI=1S/C10H14F2N2O4/c11-10(12,6-15)5-13-7(16)3-4-14-8(17)1-2-9(14)18/h15H,1-6H2,(H,13,16)
InChIKeyXVJIDIIXUCCVDQ-UHFFFAOYSA-N
XLogP-0.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 66169212
N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 104857752
N-(cyclopropylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 47021847
N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide
CID 106178303
N-cyclopropyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 60667695
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide
CID 104858205
4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide
CID 106173130
3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide
CID 104858128
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103767593
6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid
CID 43352928
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]-3-methylbutanoic acid
CID 81063012
3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide
CID 173035040

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 104857888) is N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is O=C(CCN1C(=O)CCC1=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is XVJIDIIXUCCVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O4/c11-10(12,6-15)5-13-7(16)3-4-14-8(17)1-2-9(14)18/h15H,1-6H2,(H,13,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 264.23 g/mol, XLogP of -0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 104857888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).