3-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxybenzamide

C23H16F2N2O5 — CID 56508450

IUPAC3-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1OC(F)F
InChIInChI=1S/C23H16F2N2O5/c1-31-18-10-9-13(11-19(18)32-23(24)25)20(28)26-14-5-4-6-15(12-14)27-21(29)16-7-2-3-8-17(16)22(27)30/h2-12,23H,1H3,(H,26,28)
InChIKeyOVJWPETYJOISNQ-UHFFFAOYSA-N
MW438.39 g/mol
LogP4.35
Rot. Bonds6

About 3-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxybenzamide

3-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxybenzamide (PubChem CID 56508450) has the molecular formula C23H16F2N2O5 and a molecular weight of 438.39 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxybenzamide
PubChem CID56508450
Molecular FormulaC23H16F2N2O5
Molecular Weight438.39 g/mol
Exact Mass438.10
IUPAC Name3-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1OC(F)F
InChIInChI=1S/C23H16F2N2O5/c1-31-18-10-9-13(11-19(18)32-23(24)25)20(28)26-14-5-4-6-15(12-14)27-21(29)16-7-2-3-8-17(16)22(27)30/h2-12,23H,1H3,(H,26,28)
InChIKeyOVJWPETYJOISNQ-UHFFFAOYSA-N
XLogP4.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxybenzamide (CID 56508450) is 3-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxybenzamide?
The InChIKey is OVJWPETYJOISNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O5/c1-31-18-10-9-13(11-19(18)32-23(24)25)20(28)26-14-5-4-6-15(12-14)27-21(29)16-7-2-3-8-17(16)22(27)30/h2-12,23H,1H3,(H,26,28).
What are the key properties of 3-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxybenzamide?
3-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxybenzamide has a molecular weight of 438.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 56508450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).