N'-(3-fluoro-4-methylphenyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide

C19H19FN2O3 — CID 91631236

IUPACN'-(3-fluoro-4-methylphenyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC2(O)Cc3ccccc3C2)cc1F
InChIInChI=1S/C19H19FN2O3/c1-12-6-7-15(8-16(12)20)22-18(24)17(23)21-11-19(25)9-13-4-2-3-5-14(13)10-19/h2-8,25H,9-11H2,1H3,(H,21,23)(H,22,24)
InChIKeySTGDXGLOKWRTFI-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.72
Rot. Bonds3

About N'-(3-fluoro-4-methylphenyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide

N'-(3-fluoro-4-methylphenyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide (PubChem CID 91631236) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide
PubChem CID91631236
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN'-(3-fluoro-4-methylphenyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCC2(O)Cc3ccccc3C2)cc1F
InChIInChI=1S/C19H19FN2O3/c1-12-6-7-15(8-16(12)20)22-18(24)17(23)21-11-19(25)9-13-4-2-3-5-14(13)10-19/h2-8,25H,9-11H2,1H3,(H,21,23)(H,22,24)
InChIKeySTGDXGLOKWRTFI-UHFFFAOYSA-N
XLogP1.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide (CID 91631236) is N'-(3-fluoro-4-methylphenyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide is Cc1ccc(NC(=O)C(=O)NCC2(O)Cc3ccccc3C2)cc1F.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide?
The InChIKey is STGDXGLOKWRTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-12-6-7-15(8-16(12)20)22-18(24)17(23)21-11-19(25)9-13-4-2-3-5-14(13)10-19/h2-8,25H,9-11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3-fluoro-4-methylphenyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide?
N'-(3-fluoro-4-methylphenyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide has a molecular weight of 342.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-4-methylphenyl)-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]oxamide is sourced from PubChem (CID 91631236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).