2-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide

C15H12FN3O — CID 4906783

IUPAC2-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide
SMILES[H]/N=C1\c2ccccc2CN1NC(=O)c1ccccc1F
InChIInChI=1S/C15H12FN3O/c16-13-8-4-3-7-12(13)15(20)18-19-9-10-5-1-2-6-11(10)14(19)17/h1-8,17H,9H2,(H,18,20)/b17-14+
InChIKeyULYRPAYYNQNBHJ-SAPNQHFASA-N
MW269.28 g/mol
LogP2.31
Rot. Bonds2

About 2-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide

2-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide (PubChem CID 4906783) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide
PubChem CID4906783
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name2-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide
SMILES[H]/N=C1\c2ccccc2CN1NC(=O)c1ccccc1F
InChIInChI=1S/C15H12FN3O/c16-13-8-4-3-7-12(13)15(20)18-19-9-10-5-1-2-6-11(10)14(19)17/h1-8,17H,9H2,(H,18,20)/b17-14+
InChIKeyULYRPAYYNQNBHJ-SAPNQHFASA-N
XLogP2.31
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide (CID 4906783) is 2-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide is [H]/N=C1\c2ccccc2CN1NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide?
The InChIKey is ULYRPAYYNQNBHJ-SAPNQHFASA-N. The full InChI is InChI=1S/C15H12FN3O/c16-13-8-4-3-7-12(13)15(20)18-19-9-10-5-1-2-6-11(10)14(19)17/h1-8,17H,9H2,(H,18,20)/b17-14+.
What are the key properties of 2-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide?
2-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide has a molecular weight of 269.28 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide is sourced from PubChem (CID 4906783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).