N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide

C21H23Br2N3O — CID 23147747

IUPACN-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
SMILESO=C(NCc1cc(Br)cc(Br)c1)C1(N2CCNCC2)Cc2ccccc2C1
InChIInChI=1S/C21H23Br2N3O/c22-18-9-15(10-19(23)11-18)14-25-20(27)21(26-7-5-24-6-8-26)12-16-3-1-2-4-17(16)13-21/h1-4,9-11,24H,5-8,12-14H2,(H,25,27)
InChIKeyKBNPKLUGCMAQRB-UHFFFAOYSA-N
MW493.24 g/mol
LogP3.27
Rot. Bonds4

About N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide

N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide (PubChem CID 23147747) has the molecular formula C21H23Br2N3O and a molecular weight of 493.24 g/mol. Its IUPAC name is N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
PubChem CID23147747
Molecular FormulaC21H23Br2N3O
Molecular Weight493.24 g/mol
Exact Mass491.02
IUPAC NameN-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
SMILESO=C(NCc1cc(Br)cc(Br)c1)C1(N2CCNCC2)Cc2ccccc2C1
InChIInChI=1S/C21H23Br2N3O/c22-18-9-15(10-19(23)11-18)14-25-20(27)21(26-7-5-24-6-8-26)12-16-3-1-2-4-17(16)13-21/h1-4,9-11,24H,5-8,12-14H2,(H,25,27)
InChIKeyKBNPKLUGCMAQRB-UHFFFAOYSA-N
XLogP3.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.24
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide (CID 23147747) is N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide is O=C(NCc1cc(Br)cc(Br)c1)C1(N2CCNCC2)Cc2ccccc2C1.
What is the InChIKey of N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide?
The InChIKey is KBNPKLUGCMAQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Br2N3O/c22-18-9-15(10-19(23)11-18)14-25-20(27)21(26-7-5-24-6-8-26)12-16-3-1-2-4-17(16)13-21/h1-4,9-11,24H,5-8,12-14H2,(H,25,27).
What are the key properties of N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide?
N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide has a molecular weight of 493.24 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 23147747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).