2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide

C21H20BrClN4O2 — CID 37264260

IUPAC2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C21H20BrClN4O2/c22-15-6-5-14-11-19(24-18(14)12-15)21(29)27-9-7-26(8-10-27)13-20(28)25-17-4-2-1-3-16(17)23/h1-6,11-12,24H,7-10,13H2,(H,25,28)
InChIKeyFMFSPNILATYXBK-UHFFFAOYSA-N
MW475.77 g/mol
LogP3.98
Rot. Bonds4

About 2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide

2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 37264260) has the molecular formula C21H20BrClN4O2 and a molecular weight of 475.77 g/mol. Its IUPAC name is 2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID37264260
Molecular FormulaC21H20BrClN4O2
Molecular Weight475.77 g/mol
Exact Mass474.05
IUPAC Name2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C21H20BrClN4O2/c22-15-6-5-14-11-19(24-18(14)12-15)21(29)27-9-7-26(8-10-27)13-20(28)25-17-4-2-1-3-16(17)23/h1-6,11-12,24H,7-10,13H2,(H,25,28)
InChIKeyFMFSPNILATYXBK-UHFFFAOYSA-N
XLogP3.98
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.77
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 39782572
N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide
CID 138037299
2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide
CID 24564935
2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 8749038
2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 31333414
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833686
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]piperazin-1-yl]acetamide
CID 29161558
N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
CID 9020752

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide (CID 37264260) is 2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide is O=C(CN1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1)Nc1ccccc1Cl.
What is the InChIKey of 2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is FMFSPNILATYXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrClN4O2/c22-15-6-5-14-11-19(24-18(14)12-15)21(29)27-9-7-26(8-10-27)13-20(28)25-17-4-2-1-3-16(17)23/h1-6,11-12,24H,7-10,13H2,(H,25,28).
What are the key properties of 2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 475.77 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 37264260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).