N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide

C23H16F2N2O4 — CID 18229091

IUPACN-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C23H16F2N2O4/c1-31-20-9-6-13(12-27-22(29)15-4-2-3-5-16(15)23(27)30)10-17(20)21(28)26-14-7-8-18(24)19(25)11-14/h2-11H,12H2,1H3,(H,26,28)
InChIKeyHIAZFMGYEYHPDH-UHFFFAOYSA-N
MW422.39 g/mol
LogP4.02
Rot. Bonds5

About N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide

N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide (PubChem CID 18229091) has the molecular formula C23H16F2N2O4 and a molecular weight of 422.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
PubChem CID18229091
Molecular FormulaC23H16F2N2O4
Molecular Weight422.39 g/mol
Exact Mass422.11
IUPAC NameN-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C23H16F2N2O4/c1-31-20-9-6-13(12-27-22(29)15-4-2-3-5-16(15)23(27)30)10-17(20)21(28)26-14-7-8-18(24)19(25)11-14/h2-11H,12H2,1H3,(H,26,28)
InChIKeyHIAZFMGYEYHPDH-UHFFFAOYSA-N
XLogP4.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 8743510
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 26686873
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-pyridin-2-ylbenzamide
CID 35034064
N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 55981745
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916782
N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 7945607
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-(3,4-difluorophenyl)-5-[(4-fluorophenyl)methyl]-2-methoxybenzamide
CID 46949187
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55672767
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-2-methoxybenzamide
CID 142452689
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide
CID 25360467
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 3986774

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide (CID 18229091) is N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide is COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
The InChIKey is HIAZFMGYEYHPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O4/c1-31-20-9-6-13(12-27-22(29)15-4-2-3-5-16(15)23(27)30)10-17(20)21(28)26-14-7-8-18(24)19(25)11-14/h2-11H,12H2,1H3,(H,26,28).
What are the key properties of N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide?
N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide has a molecular weight of 422.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 18229091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).