N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide

C24H18FN3O4 — CID 23938154

IUPACN-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide
SMILESCC(=O)Nc1ccc2c(c1)C(=O)N(CN(C(=O)c1ccccc1)c1cccc(F)c1)C2=O
InChIInChI=1S/C24H18FN3O4/c1-15(29)26-18-10-11-20-21(13-18)24(32)28(23(20)31)14-27(19-9-5-8-17(25)12-19)22(30)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,26,29)
InChIKeyGDEKPVKJPJGHQD-UHFFFAOYSA-N
MW431.42 g/mol
LogP3.68
Rot. Bonds5

About N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide

N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide (PubChem CID 23938154) has the molecular formula C24H18FN3O4 and a molecular weight of 431.42 g/mol. Its IUPAC name is N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide
PubChem CID23938154
Molecular FormulaC24H18FN3O4
Molecular Weight431.42 g/mol
Exact Mass431.13
IUPAC NameN-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide
SMILESCC(=O)Nc1ccc2c(c1)C(=O)N(CN(C(=O)c1ccccc1)c1cccc(F)c1)C2=O
InChIInChI=1S/C24H18FN3O4/c1-15(29)26-18-10-11-20-21(13-18)24(32)28(23(20)31)14-27(19-9-5-8-17(25)12-19)22(30)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,26,29)
InChIKeyGDEKPVKJPJGHQD-UHFFFAOYSA-N
XLogP3.68
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.68
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

2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid
CID 94831603
N-(3-fluorophenyl)-N-[(5-nitro-1,3-dioxoisoindol-2-yl)methyl]acetamide
CID 1125833
N-(3-acetylphenyl)-N-[(1,3-dioxoisoindol-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 1159351
N-(3-acetylphenyl)-N-[(5-bromo-1,3-dioxoisoindol-2-yl)methyl]acetamide
CID 44722626
4-chloro-N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methylphenyl)benzamide
CID 4223086
N-(4-acetamidophenyl)-2-(N-acetyl-3-fluoroanilino)acetamide
CID 113177708
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
1-[(3-fluorophenyl)methyl]-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872736
3-(3-fluoro-N-(3-fluorobenzoyl)anilino)propanoic acid
CID 82321619
N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide
CID 100916426
N-(3-fluorophenyl)-N-[[4-(4-hydroxyphenyl)phenyl]methyl]benzamide
CID 156654005
3-[(5-fluoro-1,3-dioxoisoindol-2-yl)methylamino]benzoic acid
CID 23876254

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide?
The IUPAC name of N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide (CID 23938154) is N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide is CC(=O)Nc1ccc2c(c1)C(=O)N(CN(C(=O)c1ccccc1)c1cccc(F)c1)C2=O.
What is the InChIKey of N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide?
The InChIKey is GDEKPVKJPJGHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O4/c1-15(29)26-18-10-11-20-21(13-18)24(32)28(23(20)31)14-27(19-9-5-8-17(25)12-19)22(30)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,26,29).
What are the key properties of N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide?
N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide has a molecular weight of 431.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetamido-1,3-dioxoisoindol-2-yl)methyl]-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 23938154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).