4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide

C16H15F2NO4 — CID 8506289

IUPAC4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide
SMILESCOc1cc(COc2ccc(C(N)=O)cc2)ccc1OC(F)F
InChIInChI=1S/C16H15F2NO4/c1-21-14-8-10(2-7-13(14)23-16(17)18)9-22-12-5-3-11(4-6-12)15(19)20/h2-8,16H,9H2,1H3,(H2,19,20)
InChIKeyKYRLQFLJLIGSGR-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.97
Rot. Bonds7

About 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide

4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide (PubChem CID 8506289) has the molecular formula C16H15F2NO4 and a molecular weight of 323.30 g/mol. Its IUPAC name is 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide.

Molecular Properties

Compound Name4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide
PubChem CID8506289
Molecular FormulaC16H15F2NO4
Molecular Weight323.30 g/mol
Exact Mass323.10
IUPAC Name4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide
SMILESCOc1cc(COc2ccc(C(N)=O)cc2)ccc1OC(F)F
InChIInChI=1S/C16H15F2NO4/c1-21-14-8-10(2-7-13(14)23-16(17)18)9-22-12-5-3-11(4-6-12)15(19)20/h2-8,16H,9H2,1H3,(H2,19,20)
InChIKeyKYRLQFLJLIGSGR-UHFFFAOYSA-N
XLogP2.97
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide?
The IUPAC name of 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide (CID 8506289) is 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide.
What is the SMILES notation for 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide?
The canonical SMILES for 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide is COc1cc(COc2ccc(C(N)=O)cc2)ccc1OC(F)F.
What is the InChIKey of 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide?
The InChIKey is KYRLQFLJLIGSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO4/c1-21-14-8-10(2-7-13(14)23-16(17)18)9-22-12-5-3-11(4-6-12)15(19)20/h2-8,16H,9H2,1H3,(H2,19,20).
What are the key properties of 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide?
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide has a molecular weight of 323.30 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzamide is sourced from PubChem (CID 8506289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).