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

C22H14F2N2O3 — CID 9164957

IUPACN-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H14F2N2O3/c23-15-8-9-19(18(24)11-15)25-20(27)14-5-3-4-13(10-14)12-26-21(28)16-6-1-2-7-17(16)22(26)29/h1-11H,12H2,(H,25,27)
InChIKeySUSWPTAGTCLDJJ-UHFFFAOYSA-N
MW392.36 g/mol
LogP4.01
Rot. Bonds4

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

N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide (PubChem CID 9164957) has the molecular formula C22H14F2N2O3 and a molecular weight of 392.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
PubChem CID9164957
Molecular FormulaC22H14F2N2O3
Molecular Weight392.36 g/mol
Exact Mass392.10
IUPAC NameN-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H14F2N2O3/c23-15-8-9-19(18(24)11-15)25-20(27)14-5-3-4-13(10-14)12-26-21(28)16-6-1-2-7-17(16)22(26)29/h1-11H,12H2,(H,25,27)
InChIKeySUSWPTAGTCLDJJ-UHFFFAOYSA-N
XLogP4.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 7774642
N-(3-chloro-2-fluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9146369
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-phenylphenyl)benzamide
CID 51548115
N-[1-(2,4-difluorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 112763749
N-(4-chlorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 8762375
N-(2,4-difluorophenyl)-3-[[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methyl]benzamide
CID 56715857
2-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-N-propylbenzamide
CID 46543344
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2,4-difluorophenyl)benzamide
CID 43923148
N-[4-(cyanomethyl)phenyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9260427
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-ethoxyphenyl)benzamide
CID 60533789
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 46651539
methyl 3-[[3-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]-3-(4-fluorophenyl)propanoate
CID 55994649

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide (CID 9164957) is N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide is O=C(Nc1ccc(F)cc1F)c1cccc(CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
The InChIKey is SUSWPTAGTCLDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O3/c23-15-8-9-19(18(24)11-15)25-20(27)14-5-3-4-13(10-14)12-26-21(28)16-6-1-2-7-17(16)22(26)29/h1-11H,12H2,(H,25,27).
What are the key properties of N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide?
N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide has a molecular weight of 392.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide is sourced from PubChem (CID 9164957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).