N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide

C16H10F2N2O3 — CID 26360019

IUPACN-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2C1=O
InChIInChI=1S/C16H10F2N2O3/c1-20-15(22)10-4-2-8(6-11(10)16(20)23)14(21)19-13-5-3-9(17)7-12(13)18/h2-7H,1H3,(H,19,21)
InChIKeyMBEOCYVCOFPGHB-UHFFFAOYSA-N
MW316.26 g/mol
LogP2.44
Rot. Bonds2

About N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 26360019) has the molecular formula C16H10F2N2O3 and a molecular weight of 316.26 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID26360019
Molecular FormulaC16H10F2N2O3
Molecular Weight316.26 g/mol
Exact Mass316.07
IUPAC NameN-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2C1=O
InChIInChI=1S/C16H10F2N2O3/c1-20-15(22)10-4-2-8(6-11(10)16(20)23)14(21)19-13-5-3-9(17)7-12(13)18/h2-7H,1H3,(H,19,21)
InChIKeyMBEOCYVCOFPGHB-UHFFFAOYSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 52.44
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

1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2,4-dimethylphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26915292
N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 9209583
N-(2,4-difluorophenyl)-2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxamide
CID 60527504
2-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid
CID 921374
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
N-(4-fluoro-2-methylphenyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 9426235
N-[4-(3-fluorophenoxy)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 60538527
3-amino-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 16784210
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
N-(2,5-dimethoxyphenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 40567340
N-(2,5-difluorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26360335

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 26360019) is N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2C1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is MBEOCYVCOFPGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O3/c1-20-15(22)10-4-2-8(6-11(10)16(20)23)14(21)19-13-5-3-9(17)7-12(13)18/h2-7H,1H3,(H,19,21).
What are the key properties of N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 316.26 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 26360019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).