2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide

C14H17F2NO3 — CID 91788905

IUPAC2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C14H17F2NO3/c1-8-3-4-9(15)12(13(8)16)14(18)17-10-5-6-20-7-11(10)19-2/h3-4,10-11H,5-7H2,1-2H3,(H,17,18)/t10-,11-/m1/s1
InChIKeyMCMVJEUXSTUXQL-GHMZBOCLSA-N
MW285.29 g/mol
LogP1.81
Rot. Bonds3

About 2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide

2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide (PubChem CID 91788905) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide
PubChem CID91788905
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide
SMILESCO[C@@H]1COCC[C@H]1NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C14H17F2NO3/c1-8-3-4-9(15)12(13(8)16)14(18)17-10-5-6-20-7-11(10)19-2/h3-4,10-11H,5-7H2,1-2H3,(H,17,18)/t10-,11-/m1/s1
InChIKeyMCMVJEUXSTUXQL-GHMZBOCLSA-N
XLogP1.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R)-3-(2-amino-2-oxoethoxy)oxan-4-yl]-2,3-difluoro-6-methoxybenzamide
CID 91780813
3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-N-[(3R,4S)-3-methoxyoxan-4-yl]-1,2-oxazole-4-carboxamide
CID 135116362
7-fluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methyl-1H-indole-2-carboxamide
CID 91779136
N-[(3S,4R)-3-methoxyoxan-4-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 91780552
5-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 91766028
2-chloro-N-(3-methoxyoxan-4-yl)acetamide
CID 127013218
2-cyano-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91770020
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
CID 91781029
N-[2-(aminomethyl)cyclohexyl]-2,6-difluoro-3-methylbenzamide
CID 82816320
N-[(3S,4R)-3-methoxyoxan-4-yl]-4-(4-propylphenyl)benzamide
CID 91762361
4-(2-hydroxyethylsulfanyl)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91762413

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide?
The IUPAC name of 2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide (CID 91788905) is 2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide?
The canonical SMILES for 2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide is CO[C@@H]1COCC[C@H]1NC(=O)c1c(F)ccc(C)c1F.
What is the InChIKey of 2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide?
The InChIKey is MCMVJEUXSTUXQL-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-8-3-4-9(15)12(13(8)16)14(18)17-10-5-6-20-7-11(10)19-2/h3-4,10-11H,5-7H2,1-2H3,(H,17,18)/t10-,11-/m1/s1.
What are the key properties of 2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide?
2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide has a molecular weight of 285.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(3S,4R)-3-methoxyoxan-4-yl]-3-methylbenzamide is sourced from PubChem (CID 91788905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).