N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C16H10F2N2O3 — CID 2989674

IUPACN-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H10F2N2O3/c17-9-5-10(18)7-11(6-9)19-14(21)8-20-15(22)12-3-1-2-4-13(12)16(20)23/h1-7H,8H2,(H,19,21)
InChIKeyLBFDFPFXIPYVLG-UHFFFAOYSA-N
MW316.26 g/mol
LogP2.20
Rot. Bonds3

About N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 2989674) has the molecular formula C16H10F2N2O3 and a molecular weight of 316.26 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID2989674
Molecular FormulaC16H10F2N2O3
Molecular Weight316.26 g/mol
Exact Mass316.07
IUPAC NameN-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C16H10F2N2O3/c17-9-5-10(18)7-11(6-9)19-14(21)8-20-15(22)12-3-1-2-4-13(12)16(20)23/h1-7H,8H2,(H,19,21)
InChIKeyLBFDFPFXIPYVLG-UHFFFAOYSA-N
XLogP2.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 52.20
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-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 34169021
5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 1248714
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2640778
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethenylphenyl)acetamide
CID 2232863
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
N-(4-chloro-2-fluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 2711737
2-(1,3-dioxoisoindol-2-yl)-N-(9H-fluoren-2-yl)acetamide
CID 24637025
2-(1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711309
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)acetamide
CID 42052502

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 2989674) is N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is LBFDFPFXIPYVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O3/c17-9-5-10(18)7-11(6-9)19-14(21)8-20-15(22)12-3-1-2-4-13(12)16(20)23/h1-7H,8H2,(H,19,21).
What are the key properties of N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 316.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 2989674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).