N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

C20H19FN2O4 — CID 32644974

IUPACN-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)NCCCCOc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C20H19FN2O4/c1-23-19(25)16-9-4-13(12-17(16)20(23)26)18(24)22-10-2-3-11-27-15-7-5-14(21)6-8-15/h4-9,12H,2-3,10-11H2,1H3,(H,22,24)
InChIKeyJVDUGOXGMOEGAB-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.64
Rot. Bonds7

About N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 32644974) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID32644974
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN1C(=O)c2ccc(C(=O)NCCCCOc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C20H19FN2O4/c1-23-19(25)16-9-4-13(12-17(16)20(23)26)18(24)22-10-2-3-11-27-15-7-5-14(21)6-8-15/h4-9,12H,2-3,10-11H2,1H3,(H,22,24)
InChIKeyJVDUGOXGMOEGAB-UHFFFAOYSA-N
XLogP2.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
2-(4-fluorophenyl)-N-[2-(4-methylphenoxy)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 9365829
N-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 169211208
N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46679781
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55858752
N-[2-(4-fluorophenyl)ethyl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9210461
N-[2-(4-fluorophenoxy)ethyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 46599885
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
CID 46536752
4-bromo-N-[4-(4-fluorophenoxy)butyl]-3,5-dimethoxybenzamide
CID 42572483
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
N-[4-(4-fluorophenoxy)butyl]-3-(trifluoromethyl)benzamide
CID 55454553

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 32644974) is N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is CN1C(=O)c2ccc(C(=O)NCCCCOc3ccc(F)cc3)cc2C1=O.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is JVDUGOXGMOEGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-23-19(25)16-9-4-13(12-17(16)20(23)26)18(24)22-10-2-3-11-27-15-7-5-14(21)6-8-15/h4-9,12H,2-3,10-11H2,1H3,(H,22,24).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 32644974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).