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

C15H13Br2N3O — CID 15944909

IUPAC4-bromo-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrN3O.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+;
InChIKeyCSBWGIURPRFKPC-KLSJZZFUSA-N
MW411.10 g/mol
LogP3.51
Rot. Bonds2

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

4-bromo-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide (PubChem CID 15944909) has the molecular formula C15H13Br2N3O and a molecular weight of 411.10 g/mol. Its IUPAC name is 4-bromo-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide.

Molecular Properties

Compound Name4-bromo-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide
PubChem CID15944909
Molecular FormulaC15H13Br2N3O
Molecular Weight411.10 g/mol
Exact Mass408.94
IUPAC Name4-bromo-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrN3O.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+;
InChIKeyCSBWGIURPRFKPC-KLSJZZFUSA-N
XLogP3.51
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.10
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-Fluorobenzoyl)amino]-1-isoindoliniminium bromide
CID 2980117
Benzamide, N-(1,3-dihydro-1-imino-2H-isoindol-2-yl)-
CID 4452901
4-fluoro-N-(1-imino-1,3-dihydro-2H-isoindol-2-yl)benzamide
CID 2980118
4-bromo-N-(1-imino-1,3-dihydro-2H-isoindol-2-yl)benzamide
CID 4638267
N-(1,3-dioxobenzo[c]azolin-2-yl)(4-bromophenyl)carboxamide
CID 824400
2-fluoro-N-(1-imino-1,3-dihydro-2H-isoindol-2-yl)benzamide
CID 4906783
1-(4-bromophenyl)-2-(3-imino-1H-isoindol-2-yl)ethanone;hydrobromide
CID 44789494
4-fluoro-N-(3-imino-1H-isoindol-2-yl)benzamide bromide
CID 53347060
4-bromo-N-(3-imino-1H-isoindol-2-yl)benzamide bromide
CID 53347125
(2S)-1-(4-bromophenyl)-2-(3-imino-1H-isoindol-2-yl)propan-1-one
CID 76763912
6-Bromo-3-iminoisoindol-1-one
CID 140409232
5-Bromo-3-iminoisoindol-1-one
CID 153277438

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide?
The IUPAC name of 4-bromo-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide (CID 15944909) is 4-bromo-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide.
What is the SMILES notation for 4-bromo-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide?
The canonical SMILES for 4-bromo-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide is Br.[H]/N=C1\c2ccccc2CN1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide?
The InChIKey is CSBWGIURPRFKPC-KLSJZZFUSA-N. The full InChI is InChI=1S/C15H12BrN3O.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-bromo-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide?
4-bromo-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide has a molecular weight of 411.10 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-imino-1H-isoindol-2-yl)benzamide;hydrobromide is sourced from PubChem (CID 15944909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).