5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide

C24H25BrClN3O — CID 158985602

IUPAC5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide
SMILESO=C(NCCN1CCNCC1)C1=C(/C=C/c2ccc(Cl)cc2)Cc2cc(Br)ccc21
InChIInChI=1S/C24H25BrClN3O/c25-20-5-8-22-19(16-20)15-18(4-1-17-2-6-21(26)7-3-17)23(22)24(30)28-11-14-29-12-9-27-10-13-29/h1-8,16,27H,9-15H2,(H,28,30)/b4-1+
InChIKeyVMGWPEVYAQDSTM-DAFODLJHSA-N
MW486.84 g/mol
LogP4.15
Rot. Bonds6

About 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide

5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide (PubChem CID 158985602) has the molecular formula C24H25BrClN3O and a molecular weight of 486.84 g/mol. Its IUPAC name is 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide
PubChem CID158985602
Molecular FormulaC24H25BrClN3O
Molecular Weight486.84 g/mol
Exact Mass485.09
IUPAC Name5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide
SMILESO=C(NCCN1CCNCC1)C1=C(/C=C/c2ccc(Cl)cc2)Cc2cc(Br)ccc21
InChIInChI=1S/C24H25BrClN3O/c25-20-5-8-22-19(16-20)15-18(4-1-17-2-6-21(26)7-3-17)23(22)24(30)28-11-14-29-12-9-27-10-13-29/h1-8,16,27H,9-15H2,(H,28,30)/b4-1+
InChIKeyVMGWPEVYAQDSTM-DAFODLJHSA-N
XLogP4.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.84
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)-3H-indene-1-carboxamide
CID 147610086
6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide
CID 129125171
(E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600248
5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide
CID 161357332
tert-butyl 4-[2-[[5-bromo-2-[(4-chlorophenyl)carbamoyl]-3H-indene-1-carbonyl]amino]ethyl]piperazine-1-carboxylate
CID 146921174
(E)-3-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)prop-2-enamide
CID 43443260
4-[2-[[5-bromo-2-(5-chloro-1H-inden-2-yl)-3H-indene-1-carbonyl]amino]ethyl]piperazine-1-carboxamide
CID 153039638
4-(3,3-dimethylbut-1-enyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 72568757
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
4-[(E)-3,3-dimethylbut-1-enyl]-N-(2-piperazin-1-ylethyl)benzamide
CID 59811465
5-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443297
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide?
The IUPAC name of 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide (CID 158985602) is 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide.
What is the SMILES notation for 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide?
The canonical SMILES for 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide is O=C(NCCN1CCNCC1)C1=C(/C=C/c2ccc(Cl)cc2)Cc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide?
The InChIKey is VMGWPEVYAQDSTM-DAFODLJHSA-N. The full InChI is InChI=1S/C24H25BrClN3O/c25-20-5-8-22-19(16-20)15-18(4-1-17-2-6-21(26)7-3-17)23(22)24(30)28-11-14-29-12-9-27-10-13-29/h1-8,16,27H,9-15H2,(H,28,30)/b4-1+.
What are the key properties of 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide?
5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide has a molecular weight of 486.84 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide is sourced from PubChem (CID 158985602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).