2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide

C20H23F2NO2 — CID 8778786

IUPAC2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C20H23F2NO2/c1-12(2)14-9-7-10-15(13(3)4)18(14)23-19(24)16-8-5-6-11-17(16)25-20(21)22/h5-13,20H,1-4H3,(H,23,24)
InChIKeySETRYCIVVKZPKI-UHFFFAOYSA-N
MW347.41 g/mol
LogP5.79
Rot. Bonds6

About 2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide

2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide (PubChem CID 8778786) has the molecular formula C20H23F2NO2 and a molecular weight of 347.41 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide
PubChem CID8778786
Molecular FormulaC20H23F2NO2
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C20H23F2NO2/c1-12(2)14-9-7-10-15(13(3)4)18(14)23-19(24)16-8-5-6-11-17(16)25-20(21)22/h5-13,20H,1-4H3,(H,23,24)
InChIKeySETRYCIVVKZPKI-UHFFFAOYSA-N
XLogP5.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-hydroxybenzamide
CID 121296745
2-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 4106952
2-(difluoromethoxy)-N-methylbenzamide;ethane
CID 155585824
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(difluoromethoxy)benzamide
CID 95577209
2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418621
N-[2-(difluoromethoxy)phenyl]-2-ethoxybenzamide
CID 17394090
methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
CID 17414154
2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide
CID 26086758
2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 30857280
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-(1-cyanoethyl)-2-(difluoromethoxy)benzamide
CID 61121836

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide (CID 8778786) is 2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide is CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide?
The InChIKey is SETRYCIVVKZPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO2/c1-12(2)14-9-7-10-15(13(3)4)18(14)23-19(24)16-8-5-6-11-17(16)25-20(21)22/h5-13,20H,1-4H3,(H,23,24).
What are the key properties of 2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide?
2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide has a molecular weight of 347.41 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide is sourced from PubChem (CID 8778786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).