3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide

C21H17F2NO3 — CID 7925660

IUPAC3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
SMILESCc1ccc(Oc2ccccc2NC(=O)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C21H17F2NO3/c1-14-9-11-16(12-10-14)26-19-8-3-2-7-18(19)24-20(25)15-5-4-6-17(13-15)27-21(22)23/h2-13,21H,1H3,(H,24,25)
InChIKeyGCYYDOHXWXZZDG-UHFFFAOYSA-N
MW369.37 g/mol
LogP5.64
Rot. Bonds6

About 3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide

3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide (PubChem CID 7925660) has the molecular formula C21H17F2NO3 and a molecular weight of 369.37 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
PubChem CID7925660
Molecular FormulaC21H17F2NO3
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
SMILESCc1ccc(Oc2ccccc2NC(=O)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C21H17F2NO3/c1-14-9-11-16(12-10-14)26-19-8-3-2-7-18(19)24-20(25)15-5-4-6-17(13-15)27-21(22)23/h2-13,21H,1H3,(H,24,25)
InChIKeyGCYYDOHXWXZZDG-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-methylphenoxy)phenyl]benzamide
CID 7925214
N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide
CID 934563
N-[2-(4-methylphenoxy)phenyl]pyridine-3-carboxamide
CID 38504749
2-(difluoromethyl)-N-[2-(4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 56553741
2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide
CID 60565493
N-[2-(4-methylphenoxy)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 27669702
N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide
CID 2067465
3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
CID 844019
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide
CID 43980865
N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
CID 114298284
N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 28973900

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide (CID 7925660) is 3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide is Cc1ccc(Oc2ccccc2NC(=O)c2cccc(OC(F)F)c2)cc1.
What is the InChIKey of 3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide?
The InChIKey is GCYYDOHXWXZZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO3/c1-14-9-11-16(12-10-14)26-19-8-3-2-7-18(19)24-20(25)15-5-4-6-17(13-15)27-21(22)23/h2-13,21H,1H3,(H,24,25).
What are the key properties of 3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide?
3-(difluoromethoxy)-N-[2-(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-[2-(4-methylphenoxy)phenyl]benzamide is sourced from PubChem (CID 7925660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).