N-(diaminomethylidene)-2-[7-fluoro-3-hydroxy-2-(2-methylpropyl)isoindol-1-yl]acetamide

C15H19FN4O2 — CID 91584792

IUPACN-(diaminomethylidene)-2-[7-fluoro-3-hydroxy-2-(2-methylpropyl)isoindol-1-yl]acetamide
SMILESCC(C)Cn1c(O)c2cccc(F)c2c1CC(=O)N=C(N)N
InChIInChI=1S/C15H19FN4O2/c1-8(2)7-20-11(6-12(21)19-15(17)18)13-9(14(20)22)4-3-5-10(13)16/h3-5,8,22H,6-7H2,1-2H3,(H4,17,18,19,21)
InChIKeyOXGLXGAVCWSEDK-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.48
Rot. Bonds4

About N-(diaminomethylidene)-2-[7-fluoro-3-hydroxy-2-(2-methylpropyl)isoindol-1-yl]acetamide

N-(diaminomethylidene)-2-[7-fluoro-3-hydroxy-2-(2-methylpropyl)isoindol-1-yl]acetamide (PubChem CID 91584792) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-[7-fluoro-3-hydroxy-2-(2-methylpropyl)isoindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-[7-fluoro-3-hydroxy-2-(2-methylpropyl)isoindol-1-yl]acetamide
PubChem CID91584792
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC NameN-(diaminomethylidene)-2-[7-fluoro-3-hydroxy-2-(2-methylpropyl)isoindol-1-yl]acetamide
SMILESCC(C)Cn1c(O)c2cccc(F)c2c1CC(=O)N=C(N)N
InChIInChI=1S/C15H19FN4O2/c1-8(2)7-20-11(6-12(21)19-15(17)18)13-9(14(20)22)4-3-5-10(13)16/h3-5,8,22H,6-7H2,1-2H3,(H4,17,18,19,21)
InChIKeyOXGLXGAVCWSEDK-UHFFFAOYSA-N
XLogP1.48
TPSA106.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-[7-fluoro-3-hydroxy-2-(2-methylpropyl)isoindol-1-yl]acetamide?
The IUPAC name of N-(diaminomethylidene)-2-[7-fluoro-3-hydroxy-2-(2-methylpropyl)isoindol-1-yl]acetamide (CID 91584792) is N-(diaminomethylidene)-2-[7-fluoro-3-hydroxy-2-(2-methylpropyl)isoindol-1-yl]acetamide.
What is the SMILES notation for N-(diaminomethylidene)-2-[7-fluoro-3-hydroxy-2-(2-methylpropyl)isoindol-1-yl]acetamide?
The canonical SMILES for N-(diaminomethylidene)-2-[7-fluoro-3-hydroxy-2-(2-methylpropyl)isoindol-1-yl]acetamide is CC(C)Cn1c(O)c2cccc(F)c2c1CC(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-2-[7-fluoro-3-hydroxy-2-(2-methylpropyl)isoindol-1-yl]acetamide?
The InChIKey is OXGLXGAVCWSEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-8(2)7-20-11(6-12(21)19-15(17)18)13-9(14(20)22)4-3-5-10(13)16/h3-5,8,22H,6-7H2,1-2H3,(H4,17,18,19,21).
What are the key properties of N-(diaminomethylidene)-2-[7-fluoro-3-hydroxy-2-(2-methylpropyl)isoindol-1-yl]acetamide?
N-(diaminomethylidene)-2-[7-fluoro-3-hydroxy-2-(2-methylpropyl)isoindol-1-yl]acetamide has a molecular weight of 306.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-[7-fluoro-3-hydroxy-2-(2-methylpropyl)isoindol-1-yl]acetamide is sourced from PubChem (CID 91584792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).