4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide

C13H15F2NO3 — CID 78956822

IUPAC4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(OC(F)F)cc2)COC1
InChIInChI=1S/C13H15F2NO3/c1-13(7-18-8-13)6-16-11(17)9-2-4-10(5-3-9)19-12(14)15/h2-5,12H,6-8H2,1H3,(H,16,17)
InChIKeyBMUSZLINAPWEPL-UHFFFAOYSA-N
MW271.26 g/mol
LogP2.05
Rot. Bonds5

About 4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide

4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide (PubChem CID 78956822) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide
PubChem CID78956822
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCC1(CNC(=O)c2ccc(OC(F)F)cc2)COC1
InChIInChI=1S/C13H15F2NO3/c1-13(7-18-8-13)6-16-11(17)9-2-4-10(5-3-9)19-12(14)15/h2-5,12H,6-8H2,1H3,(H,16,17)
InChIKeyBMUSZLINAPWEPL-UHFFFAOYSA-N
XLogP2.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide
CID 115365450
N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide
CID 78957044
4-(difluoromethoxy)-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 134027068
N-[(3-methyloxetan-3-yl)methyl]pyridine-3-carboxamide
CID 78956674
4-(difluoromethoxy)-N-[3-(dimethylamino)propyl]benzamide
CID 14959961
4-(difluoromethoxy)-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111447534
4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide
CID 125448120
N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 115825220
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
3,5-dichloro-4-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957615
4-(3-amino-2-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 121499310
N-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide
CID 114383585

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide (CID 78956822) is 4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide is CC1(CNC(=O)c2ccc(OC(F)F)cc2)COC1.
What is the InChIKey of 4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The InChIKey is BMUSZLINAPWEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-13(7-18-8-13)6-16-11(17)9-2-4-10(5-3-9)19-12(14)15/h2-5,12H,6-8H2,1H3,(H,16,17).
What are the key properties of 4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide?
4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide has a molecular weight of 271.26 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide is sourced from PubChem (CID 78956822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).