3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide

C16H19F2NO3 — CID 154847776

IUPAC3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide
SMILESCOc1ccc(C(=O)NC2CCC23CCC3)cc1OC(F)F
InChIInChI=1S/C16H19F2NO3/c1-21-11-4-3-10(9-12(11)22-15(17)18)14(20)19-13-5-8-16(13)6-2-7-16/h3-4,9,13,15H,2,5-8H2,1H3,(H,19,20)
InChIKeyXHGKISRIQXLKFO-UHFFFAOYSA-N
MW311.33 g/mol
LogP3.36
Rot. Bonds5

About 3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide

3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide (PubChem CID 154847776) has the molecular formula C16H19F2NO3 and a molecular weight of 311.33 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide
PubChem CID154847776
Molecular FormulaC16H19F2NO3
Molecular Weight311.33 g/mol
Exact Mass311.13
IUPAC Name3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide
SMILESCOc1ccc(C(=O)NC2CCC23CCC3)cc1OC(F)F
InChIInChI=1S/C16H19F2NO3/c1-21-11-4-3-10(9-12(11)22-15(17)18)14(20)19-13-5-8-16(13)6-2-7-16/h3-4,9,13,15H,2,5-8H2,1H3,(H,19,20)
InChIKeyXHGKISRIQXLKFO-UHFFFAOYSA-N
XLogP3.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 122276396
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3-(difluoromethoxy)-4-methoxybenzamide
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N-[1-(1-adamantyl)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
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CID 9217777
4-(difluoromethoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybenzamide
CID 24509572
3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
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CID 119383172
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
1-cyclohexyl-3-[3-(difluoromethoxy)-4-methoxyphenyl]urea
CID 134039305
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 56553284
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CID 114632315

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide?
The IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide (CID 154847776) is 3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide?
The canonical SMILES for 3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide is COc1ccc(C(=O)NC2CCC23CCC3)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide?
The InChIKey is XHGKISRIQXLKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO3/c1-21-11-4-3-10(9-12(11)22-15(17)18)14(20)19-13-5-8-16(13)6-2-7-16/h3-4,9,13,15H,2,5-8H2,1H3,(H,19,20).
What are the key properties of 3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide?
3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide has a molecular weight of 311.33 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-methoxy-N-spiro[3.3]heptan-3-ylbenzamide is sourced from PubChem (CID 154847776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).