N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide

C24H18BrN3O2 — CID 2312208

IUPACN-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide
SMILESCc1c(C=NNC(=O)c2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccccc1
InChIInChI=1S/C24H18BrN3O2/c1-16-20(15-26-27-24(30)18-10-12-19(25)13-11-18)21-9-5-6-14-28(21)22(16)23(29)17-7-3-2-4-8-17/h2-15H,1H3,(H,27,30)
InChIKeySXQYCMSINZJXRV-UHFFFAOYSA-N
MW460.33 g/mol
LogP5.01
Rot. Bonds5

About N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide

N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide (PubChem CID 2312208) has the molecular formula C24H18BrN3O2 and a molecular weight of 460.33 g/mol. Its IUPAC name is N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide.

Molecular Properties

Compound NameN-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide
PubChem CID2312208
Molecular FormulaC24H18BrN3O2
Molecular Weight460.33 g/mol
Exact Mass459.06
IUPAC NameN-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide
SMILESCc1c(C=NNC(=O)c2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccccc1
InChIInChI=1S/C24H18BrN3O2/c1-16-20(15-26-27-24(30)18-10-12-19(25)13-11-18)21-9-5-6-14-28(21)22(16)23(29)17-7-3-2-4-8-17/h2-15H,1H3,(H,27,30)
InChIKeySXQYCMSINZJXRV-UHFFFAOYSA-N
XLogP5.01
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.33
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]pyridine-3-carboxamide
CID 6905891
N-[[2-methyl-3-(pyridine-4-carbonyl)indolizin-1-yl]methylideneamino]-4-nitrobenzamide
CID 2311239
ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate
CID 2387590
1-ethyl-3-[(E)-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]thiourea
CID 6904833
3-(diethylsulfamoyl)-N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]benzamide
CID 2458333
N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 3269286
1-cyclohexyl-3-[(E)-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]thiourea
CID 6903729
N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]-4-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzamide
CID 2370159
(4-fluorophenyl)-[2-methyl-1-[(E)-1,2,4-triazol-4-yliminomethyl]indolizin-3-yl]methanone
CID 6903027
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-bromobenzamide
CID 3382244
4-bromo-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 6871391
(4-fluorophenyl)-[2-methyl-1-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]indolizin-3-yl]methanone
CID 4638945

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide?
The IUPAC name of N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide (CID 2312208) is N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide.
What is the SMILES notation for N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide?
The canonical SMILES for N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide is Cc1c(C=NNC(=O)c2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccccc1.
What is the InChIKey of N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide?
The InChIKey is SXQYCMSINZJXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3O2/c1-16-20(15-26-27-24(30)18-10-12-19(25)13-11-18)21-9-5-6-14-28(21)22(16)23(29)17-7-3-2-4-8-17/h2-15H,1H3,(H,27,30).
What are the key properties of N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide?
N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide has a molecular weight of 460.33 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzoyl-2-methylindolizin-1-yl)methylideneamino]-4-bromobenzamide is sourced from PubChem (CID 2312208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).