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

C24H24BrClN2O2 — CID 147610086

IUPAC5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)-3H-indene-1-carboxamide
SMILESO=C(NCCN1CCOCC1)C1=C(/C=C/c2ccc(Cl)cc2)Cc2cc(Br)ccc21
InChIInChI=1S/C24H24BrClN2O2/c25-20-5-8-22-19(16-20)15-18(4-1-17-2-6-21(26)7-3-17)23(22)24(29)27-9-10-28-11-13-30-14-12-28/h1-8,16H,9-15H2,(H,27,29)/b4-1+
InChIKeyGBVIQMMDVAUBHJ-DAFODLJHSA-N
MW487.83 g/mol
LogP4.57
Rot. Bonds6

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

5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)-3H-indene-1-carboxamide (PubChem CID 147610086) has the molecular formula C24H24BrClN2O2 and a molecular weight of 487.83 g/mol. Its IUPAC name is 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)-3H-indene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)-3H-indene-1-carboxamide
PubChem CID147610086
Molecular FormulaC24H24BrClN2O2
Molecular Weight487.83 g/mol
Exact Mass486.07
IUPAC Name5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)-3H-indene-1-carboxamide
SMILESO=C(NCCN1CCOCC1)C1=C(/C=C/c2ccc(Cl)cc2)Cc2cc(Br)ccc21
InChIInChI=1S/C24H24BrClN2O2/c25-20-5-8-22-19(16-20)15-18(4-1-17-2-6-21(26)7-3-17)23(22)24(29)27-9-10-28-11-13-30-14-12-28/h1-8,16H,9-15H2,(H,27,29)/b4-1+
InChIKeyGBVIQMMDVAUBHJ-DAFODLJHSA-N
XLogP4.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.83
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide
CID 158985602
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
5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
CID 47100697
4-[2-[[5-bromo-2-(5-chloro-1H-inden-2-yl)-3H-indene-1-carbonyl]amino]ethyl]piperazine-1-carboxamide
CID 153039638
6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-1H-indole-3-carboxamide
CID 129125171
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 18162315
5-bromo-2-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 51155963
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
4-bromo-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 26697005

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)-3H-indene-1-carboxamide?
The IUPAC name of 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)-3H-indene-1-carboxamide (CID 147610086) is 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)-3H-indene-1-carboxamide.
What is the SMILES notation for 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)-3H-indene-1-carboxamide?
The canonical SMILES for 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)-3H-indene-1-carboxamide is O=C(NCCN1CCOCC1)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-morpholin-4-ylethyl)-3H-indene-1-carboxamide?
The InChIKey is GBVIQMMDVAUBHJ-DAFODLJHSA-N. The full InChI is InChI=1S/C24H24BrClN2O2/c25-20-5-8-22-19(16-20)15-18(4-1-17-2-6-21(26)7-3-17)23(22)24(29)27-9-10-28-11-13-30-14-12-28/h1-8,16H,9-15H2,(H,27,29)/b4-1+.
What are the key properties of 5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)-3H-indene-1-carboxamide?
5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)-3H-indene-1-carboxamide has a molecular weight of 487.83 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 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-morpholin-4-ylethyl)-3H-indene-1-carboxamide is sourced from PubChem (CID 147610086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).