3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide

C21H17F2NO3 — CID 7925214

IUPAC3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3cccc(OC(F)F)c3)cc2)cc1
InChIInChI=1S/C21H17F2NO3/c1-14-5-9-17(10-6-14)26-18-11-7-16(8-12-18)24-20(25)15-3-2-4-19(13-15)27-21(22)23/h2-13,21H,1H3,(H,24,25)
InChIKeyVQVXZEIFESRJJH-UHFFFAOYSA-N
MW369.37 g/mol
LogP5.64
Rot. Bonds6

About 3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide

3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide (PubChem CID 7925214) has the molecular formula C21H17F2NO3 and a molecular weight of 369.37 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide
PubChem CID7925214
Molecular FormulaC21H17F2NO3
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3cccc(OC(F)F)c3)cc2)cc1
InChIInChI=1S/C21H17F2NO3/c1-14-5-9-17(10-6-14)26-18-11-7-16(8-12-18)24-20(25)15-3-2-4-19(13-15)27-21(22)23/h2-13,21H,1H3,(H,24,25)
InChIKeyVQVXZEIFESRJJH-UHFFFAOYSA-N
XLogP5.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.37
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-N-[4-(4-ethoxyphenoxy)phenyl]benzamide
CID 7925305
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 7925660
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698643
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 110902273
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(difluoromethoxy)benzoate
CID 7985251
3-(difluoromethoxy)-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide
CID 55713821
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 46454255
1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide
CID 59281713

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide (CID 7925214) is 3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide is Cc1ccc(Oc2ccc(NC(=O)c3cccc(OC(F)F)c3)cc2)cc1.
What is the InChIKey of 3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide?
The InChIKey is VQVXZEIFESRJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO3/c1-14-5-9-17(10-6-14)26-18-11-7-16(8-12-18)24-20(25)15-3-2-4-19(13-15)27-21(22)23/h2-13,21H,1H3,(H,24,25).
What are the key properties of 3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide?
3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide has a molecular weight of 369.37 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide is sourced from PubChem (CID 7925214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).