4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C13H15F2NO2 — CID 7391199

IUPAC4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCc1cc(F)c(F)cc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C13H15F2NO2/c1-8-5-11(14)12(15)6-10(8)13(17)16-7-9-3-2-4-18-9/h5-6,9H,2-4,7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyMVNWVTRTFLZMJI-SECBINFHSA-N
MW255.26 g/mol
LogP2.18
Rot. Bonds3

About 4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 7391199) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID7391199
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCc1cc(F)c(F)cc1C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C13H15F2NO2/c1-8-5-11(14)12(15)6-10(8)13(17)16-7-9-3-2-4-18-9/h5-6,9H,2-4,7H2,1H3,(H,16,17)/t9-/m1/s1
InChIKeyMVNWVTRTFLZMJI-SECBINFHSA-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

2,4,5-trimethyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95970650
2,3-difluoro-4-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 2938828
2-fluoro-4-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 113355583
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2496418
3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 55160007
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 146080052
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 689145

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 7391199) is 4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide is Cc1cc(F)c(F)cc1C(=O)NC[C@H]1CCCO1.
What is the InChIKey of 4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is MVNWVTRTFLZMJI-SECBINFHSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-8-5-11(14)12(15)6-10(8)13(17)16-7-9-3-2-4-18-9/h5-6,9H,2-4,7H2,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of 4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]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 4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 7391199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).