5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide

C22H27BrIN3O — CID 22225983

IUPAC5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCCCN1CCCCC1
InChIInChI=1S/C22H27BrIN3O/c1-16-14-18(24)7-9-20(16)26-21-8-6-17(23)15-19(21)22(28)25-10-5-13-27-11-3-2-4-12-27/h6-9,14-15,26H,2-5,10-13H2,1H3,(H,25,28)
InChIKeyHIDZKFBLBMEGIG-UHFFFAOYSA-N
MW556.29 g/mol
LogP5.71
Rot. Bonds7

About 5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide

5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 22225983) has the molecular formula C22H27BrIN3O and a molecular weight of 556.29 g/mol. Its IUPAC name is 5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID22225983
Molecular FormulaC22H27BrIN3O
Molecular Weight556.29 g/mol
Exact Mass555.04
IUPAC Name5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide
SMILESCc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCCCN1CCCCC1
InChIInChI=1S/C22H27BrIN3O/c1-16-14-18(24)7-9-20(16)26-21-8-6-17(23)15-19(21)22(28)25-10-5-13-27-11-3-2-4-12-27/h6-9,14-15,26H,2-5,10-13H2,1H3,(H,25,28)
InChIKeyHIDZKFBLBMEGIG-UHFFFAOYSA-N
XLogP5.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.29
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-iodo-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 113219048
5-bromo-N-[2-(diethylamino)ethyl]-2-(4-iodo-2-methylanilino)benzamide
CID 22226090
4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 10173990
5-bromo-N-cyclopropyl-2-(4-iodo-2-methylanilino)benzamide;5-fluoro-N-(2-hydroxyethyl)-2-(4-iodo-2-methylanilino)benzamide
CID 159834623
N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-bromo-2-(4-iodo-2-methylanilino)benzamide;N-[2-[bis(2-hydroxyethyl)amino]ethyl]-5-chloro-2-(4-iodo-2-methylanilino)benzamide;5-bromo-2-(2-ethyl-4-iodoanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide;5-fluoro-2-(4-iodo-2-methylanilino)-N-(pyridin-4-ylmethyl)benzamide;N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-iodo-2-methylanilino)benzamide
CID 173277052
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 65311639
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107029176
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133
2-(4-bromo-2-methylanilino)-3,4-difluoro-N-(2-phenylethyl)benzamide;2-(4-bromo-2-methylanilino)-3,4-difluoro-N-(2-piperidin-1-ylethyl)benzamide
CID 157379072
5-acetamido-N-[3-(azepan-1-yl)propyl]-2-(methanesulfonamido)benzamide
CID 56579751

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide (CID 22225983) is 5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide is Cc1cc(I)ccc1Nc1ccc(Br)cc1C(=O)NCCCN1CCCCC1.
What is the InChIKey of 5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is HIDZKFBLBMEGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrIN3O/c1-16-14-18(24)7-9-20(16)26-21-8-6-17(23)15-19(21)22(28)25-10-5-13-27-11-3-2-4-12-27/h6-9,14-15,26H,2-5,10-13H2,1H3,(H,25,28).
What are the key properties of 5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide?
5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 556.29 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-iodo-2-methylanilino)-N-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 22225983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).