2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide

C13H15F2NO2 — CID 62648709

IUPAC2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(F)c1F)C1CCCO1
InChIInChI=1S/C13H15F2NO2/c1-8(11-6-3-7-18-11)16-13(17)9-4-2-5-10(14)12(9)15/h2,4-5,8,11H,3,6-7H2,1H3,(H,16,17)
InChIKeyUWRRAYMUOMUDLS-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.26
Rot. Bonds3

About 2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide

2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide (PubChem CID 62648709) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
PubChem CID62648709
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(F)c1F)C1CCCO1
InChIInChI=1S/C13H15F2NO2/c1-8(11-6-3-7-18-11)16-13(17)9-4-2-5-10(14)12(9)15/h2,4-5,8,11H,3,6-7H2,1H3,(H,16,17)
InChIKeyUWRRAYMUOMUDLS-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-2,3-difluorobenzamide
CID 62648544
2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 6466404
5-amino-2-bromo-4-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62816463
N-[1-(oxolan-2-yl)ethyl]-1H-indole-4-carboxamide
CID 43581991
2-anilino-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 42955770
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
3-hydrazinyl-2-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 115549566
6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 63971995
2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103297145
2-ethoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyridine-3-carboxamide
CID 35250402
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide (CID 62648709) is 2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide is CC(NC(=O)c1cccc(F)c1F)C1CCCO1.
What is the InChIKey of 2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is UWRRAYMUOMUDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-8(11-6-3-7-18-11)16-13(17)9-4-2-5-10(14)12(9)15/h2,4-5,8,11H,3,6-7H2,1H3,(H,16,17).
What are the key properties of 2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide?
2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide has a molecular weight of 255.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 62648709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).