2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide

C13H15F2NO2 — CID 2938828

IUPAC2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CCCO2)c(F)c1F
InChIInChI=1S/C13H15F2NO2/c1-8-4-5-10(12(15)11(8)14)13(17)16-7-9-3-2-6-18-9/h4-5,9H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyKFMGJEGWUHZKIF-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.18
Rot. Bonds3

About 2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide

2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2938828) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2938828
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCC2CCCO2)c(F)c1F
InChIInChI=1S/C13H15F2NO2/c1-8-4-5-10(12(15)11(8)14)13(17)16-7-9-3-2-6-18-9/h4-5,9H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyKFMGJEGWUHZKIF-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 689145
2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 113355583
6-methyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95976180
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 107515192
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95155012
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 2938828) is 2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(C(=O)NCC2CCCO2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is KFMGJEGWUHZKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-8-4-5-10(12(15)11(8)14)13(17)16-7-9-3-2-6-18-9/h4-5,9H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide?
2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 255.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2938828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).