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

C23H16F2N2O5 — CID 56508226

IUPAC4-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)ccc1OC(F)F
InChIInChI=1S/C23H16F2N2O5/c1-31-19-11-13(9-10-18(19)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)
InChIKeyXADPVUAQVIUYCS-UHFFFAOYSA-N
MW438.39 g/mol
LogP4.35
Rot. Bonds6

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

4-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methoxybenzamide (PubChem CID 56508226) has the molecular formula C23H16F2N2O5 and a molecular weight of 438.39 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methoxybenzamide
PubChem CID56508226
Molecular FormulaC23H16F2N2O5
Molecular Weight438.39 g/mol
Exact Mass438.10
IUPAC Name4-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)ccc1OC(F)F
InChIInChI=1S/C23H16F2N2O5/c1-31-19-11-13(9-10-18(19)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)
InChIKeyXADPVUAQVIUYCS-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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Related Compounds

5-(2-Fluoroethoxy)-2-[4-(methylamino)phenyl]isoindole-1,3-dione
CID 25266309
2-(4-Aminophenyl)-5-(3-fluoropropoxy)isoindole-1,3-dione
CID 25266311
5-(3-Fluoropropoxy)-2-[4-(methylamino)phenyl]isoindole-1,3-dione
CID 25266312
2-[4-(Dimethylamino)phenyl]-5-methoxyisoindole-1,3-dione
CID 25270868
2-(4-Aminophenyl)-5-(2-fluoroethoxy)isoindole-1,3-dione
CID 25271539
(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947879
N-(3-acetylphenyl)-3,4-dimethoxybenzamide
CID 2171051
2-[2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]isoindole-1,3-dione
CID 122192273
N-[3-(4,5-dimethoxy-3-oxo-1H-isoindol-2-yl)phenyl]acetamide
CID 681912
N-(4-anilinophenyl)-3,4-dimethoxybenzamide
CID 868113
N-[4-(1,3-dioxoisoindol-5-yl)oxyphenyl]-3-methylbutanamide
CID 977863
2-(3,4-dimethylphenyl)-4,5-dimethoxy-1H-isoindole-1,3(2H)-dione
CID 903671

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methoxybenzamide (CID 56508226) is 4-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methoxybenzamide is COc1cc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methoxybenzamide?
The InChIKey is XADPVUAQVIUYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O5/c1-31-19-11-13(9-10-18(19)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 4-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-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 4-(difluoromethoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 56508226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).