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

C9H14F2N2O3 — CID 103769873

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NCC(O)C(F)F
InChIInChI=1S/C9H14F2N2O3/c10-9(11)6(14)4-12-7(15)5-13-3-1-2-8(13)16/h6,9,14H,1-5H2,(H,12,15)
InChIKeyRBHRMHAUCVDAMN-UHFFFAOYSA-N
MW236.22 g/mol
LogP-0.65
Rot. Bonds5

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

N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 103769873) has the molecular formula C9H14F2N2O3 and a molecular weight of 236.22 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID103769873
Molecular FormulaC9H14F2N2O3
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)NCC(O)C(F)F
InChIInChI=1S/C9H14F2N2O3/c10-9(11)6(14)4-12-7(15)5-13-3-1-2-8(13)16/h6,9,14H,1-5H2,(H,12,15)
InChIKeyRBHRMHAUCVDAMN-UHFFFAOYSA-N
XLogP-0.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726264
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 3050861
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111452400
N-(4-hydroxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 106843150
2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811989
2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120811988
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 122132393
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
N-(3-hydroxy-4-methoxybutyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 103876710
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
N-(2-amino-2-phenylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 119528982

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 103769873) is N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is RBHRMHAUCVDAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3/c10-9(11)6(14)4-12-7(15)5-13-3-1-2-8(13)16/h6,9,14H,1-5H2,(H,12,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 236.22 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 103769873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).