5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide

C24H26BrClN4O2 — CID 161357332

IUPAC5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide
SMILESCN1CCN(CCNC(=O)C2=C(C(=O)Nc3ccc(Cl)cc3)Cc3cc(Br)ccc32)CC1
InChIInChI=1S/C24H26BrClN4O2/c1-29-10-12-30(13-11-29)9-8-27-24(32)22-20-7-2-17(25)14-16(20)15-21(22)23(31)28-19-5-3-18(26)4-6-19/h2-7,14H,8-13,15H2,1H3,(H,27,32)(H,28,31)
InChIKeyVOSDSLSPNIZCQJ-UHFFFAOYSA-N
MW517.86 g/mol
LogP3.41
Rot. Bonds6

About 5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide

5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide (PubChem CID 161357332) has the molecular formula C24H26BrClN4O2 and a molecular weight of 517.86 g/mol. Its IUPAC name is 5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide.

Molecular Properties

Compound Name5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide
PubChem CID161357332
Molecular FormulaC24H26BrClN4O2
Molecular Weight517.86 g/mol
Exact Mass516.09
IUPAC Name5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide
SMILESCN1CCN(CCNC(=O)C2=C(C(=O)Nc3ccc(Cl)cc3)Cc3cc(Br)ccc32)CC1
InChIInChI=1S/C24H26BrClN4O2/c1-29-10-12-30(13-11-29)9-8-27-24(32)22-20-7-2-17(25)14-16(20)15-21(22)23(31)28-19-5-3-18(26)4-6-19/h2-7,14H,8-13,15H2,1H3,(H,27,32)(H,28,31)
InChIKeyVOSDSLSPNIZCQJ-UHFFFAOYSA-N
XLogP3.41
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.86
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-[[5-bromo-2-[(4-chlorophenyl)carbamoyl]-3H-indene-1-carbonyl]amino]ethyl]piperazine-1-carboxylate
CID 146921174
5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-morpholin-4-ylethyl)-3H-indene-1-carboxamide
CID 147610086
5-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2-piperazin-1-ylethyl)-3H-indene-1-carboxamide
CID 158985602
4-[2-[[5-bromo-2-(5-chloro-1H-inden-2-yl)-3H-indene-1-carbonyl]amino]ethyl]piperazine-1-carboxamide
CID 153039638
N-(3-bromo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 90485277
5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 112832556
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-bromo-2-fluorobenzamide
CID 39301758
4-bromo-1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrole-2-carboxamide
CID 60701907
5-bromo-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]furan-2-carboxamide
CID 108765983
N'-(4-bromophenyl)-N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]oxamide
CID 3720505
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 81225983

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide?
The IUPAC name of 5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide (CID 161357332) is 5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide.
What is the SMILES notation for 5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide?
The canonical SMILES for 5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide is CN1CCN(CCNC(=O)C2=C(C(=O)Nc3ccc(Cl)cc3)Cc3cc(Br)ccc32)CC1.
What is the InChIKey of 5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide?
The InChIKey is VOSDSLSPNIZCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrClN4O2/c1-29-10-12-30(13-11-29)9-8-27-24(32)22-20-7-2-17(25)14-16(20)15-21(22)23(31)28-19-5-3-18(26)4-6-19/h2-7,14H,8-13,15H2,1H3,(H,27,32)(H,28,31).
What are the key properties of 5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide?
5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide has a molecular weight of 517.86 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(4-chlorophenyl)-1-N-[2-(4-methylpiperazin-1-yl)ethyl]-3H-indene-1,2-dicarboxamide is sourced from PubChem (CID 161357332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).