4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide

C16H13F2NO4 — CID 7931593

IUPAC4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C16H13F2NO4/c17-16(18)23-13-7-1-10(2-8-13)14(20)9-22-12-5-3-11(4-6-12)15(19)21/h1-8,16H,9H2,(H2,19,21)
InChIKeyUAEULXPOAFWEJO-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.65
Rot. Bonds7

About 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide

4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide (PubChem CID 7931593) has the molecular formula C16H13F2NO4 and a molecular weight of 321.28 g/mol. Its IUPAC name is 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
PubChem CID7931593
Molecular FormulaC16H13F2NO4
Molecular Weight321.28 g/mol
Exact Mass321.08
IUPAC Name4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C16H13F2NO4/c17-16(18)23-13-7-1-10(2-8-13)14(20)9-22-12-5-3-11(4-6-12)15(19)21/h1-8,16H,9H2,(H2,19,21)
InChIKeyUAEULXPOAFWEJO-UHFFFAOYSA-N
XLogP2.65
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzoate
CID 55664888
5-chloro-2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide
CID 26961842
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2429143
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] cyclopropanecarboxylate
CID 2356812
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612428
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
4-[2-(3-bromophenyl)-2-oxoethoxy]benzamide
CID 7931631
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 16507913
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120
4-[2-(furan-2-yl)-2-oxoethoxy]benzamide
CID 60624189
1-[4-(difluoromethoxy)phenyl]-2-(4-ethoxyphenyl)sulfanylethanone
CID 55463619
methyl 4-[4-(difluoromethoxy)phenyl]-2,4-dioxobutanoate
CID 17024669

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide (CID 7931593) is 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide is NC(=O)c1ccc(OCC(=O)c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide?
The InChIKey is UAEULXPOAFWEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO4/c17-16(18)23-13-7-1-10(2-8-13)14(20)9-22-12-5-3-11(4-6-12)15(19)21/h1-8,16H,9H2,(H2,19,21).
What are the key properties of 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide?
4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide has a molecular weight of 321.28 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(difluoromethoxy)phenyl]-2-oxoethoxy]benzamide is sourced from PubChem (CID 7931593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).