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

C18H15FN2O3 — CID 30847840

IUPACN-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)NCc1ccccc1F)C2=O
InChIInChI=1S/C18H15FN2O3/c1-11-6-7-13-14(8-11)18(24)21(17(13)23)10-16(22)20-9-12-4-2-3-5-15(12)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyRVAGXZIQLIQVRT-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.05
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 30847840) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID30847840
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)NCc1ccccc1F)C2=O
InChIInChI=1S/C18H15FN2O3/c1-11-6-7-13-14(8-11)18(24)21(17(13)23)10-16(22)20-9-12-4-2-3-5-15(12)19/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyRVAGXZIQLIQVRT-UHFFFAOYSA-N
XLogP2.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.05
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

N-[(2-fluorophenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30438801
N-[(2,5-dimethylphenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110779654
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 113201993
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-phenylsulfanylethyl)acetamide
CID 26444764
N-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 32603613
N-[(2-fluorophenyl)methyl]-2-[(4-methylphenyl)methylamino]acetamide
CID 108997023
5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119234321
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 55907455
N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 119640987
N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 46591341
N-[2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-4-methylbenzamide
CID 108537946

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide (CID 30847840) is N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide is Cc1ccc2c(c1)C(=O)N(CC(=O)NCc1ccccc1F)C2=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is RVAGXZIQLIQVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-11-6-7-13-14(8-11)18(24)21(17(13)23)10-16(22)20-9-12-4-2-3-5-15(12)19/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 326.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 30847840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).