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

C15H13BrFN3O — CID 2980117

IUPAC4-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O.BrH/c16-12-7-5-10(6-8-12)15(20)18-19-9-11-3-1-2-4-13(11)14(19)17;/h1-8,17H,9H2,(H,18,20);1H/b17-14+;
InChIKeyCREPCBUYNLRQER-KLSJZZFUSA-N
MW350.19 g/mol
LogP2.89
Rot. Bonds2

About 4-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide

4-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide (PubChem CID 2980117) has the molecular formula C15H13BrFN3O and a molecular weight of 350.19 g/mol. Its IUPAC name is 4-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide.

Molecular Properties

Compound Name4-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide
PubChem CID2980117
Molecular FormulaC15H13BrFN3O
Molecular Weight350.19 g/mol
Exact Mass349.02
IUPAC Name4-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O.BrH/c16-12-7-5-10(6-8-12)15(20)18-19-9-11-3-1-2-4-13(11)14(19)17;/h1-8,17H,9H2,(H,18,20);1H/b17-14+;
InChIKeyCREPCBUYNLRQER-KLSJZZFUSA-N
XLogP2.89
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 52.89
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 4-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide?
The IUPAC name of 4-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide (CID 2980117) is 4-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide.
What is the SMILES notation for 4-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide?
The canonical SMILES for 4-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide is Br.[H]/N=C1\c2ccccc2CN1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide?
The InChIKey is CREPCBUYNLRQER-KLSJZZFUSA-N. The full InChI is InChI=1S/C15H12FN3O.BrH/c16-12-7-5-10(6-8-12)15(20)18-19-9-11-3-1-2-4-13(11)14(19)17;/h1-8,17H,9H2,(H,18,20);1H/b17-14+;.
What are the key properties of 4-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide?
4-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide has a molecular weight of 350.19 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide is sourced from PubChem (CID 2980117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).