2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide

C26H29ClN4O2 — CID 20889265

IUPAC2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CCNC(=O)Cn2cccc2C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H29ClN4O2/c1-20-9-10-22(27)18-24(20)30-16-14-29(15-17-30)13-11-28-25(32)19-31-12-5-8-23(31)26(33)21-6-3-2-4-7-21/h2-10,12,18H,11,13-17,19H2,1H3,(H,28,32)
InChIKeyQYFJEFQPUWNODE-UHFFFAOYSA-N
MW465.00 g/mol
LogP3.62
Rot. Bonds8

About 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide

2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 20889265) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide
PubChem CID20889265
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC Name2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide
SMILESCc1ccc(Cl)cc1N1CCN(CCNC(=O)Cn2cccc2C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H29ClN4O2/c1-20-9-10-22(27)18-24(20)30-16-14-29(15-17-30)13-11-28-25(32)19-31-12-5-8-23(31)26(33)21-6-3-2-4-7-21/h2-10,12,18H,11,13-17,19H2,1H3,(H,28,32)
InChIKeyQYFJEFQPUWNODE-UHFFFAOYSA-N
XLogP3.62
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8591260
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
CID 53056319
N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892341
N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide
CID 1091721
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859076
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 4120374
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-3-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)propanamide
CID 46274045
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
CID 20885137
2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 17493759
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8591270
(2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 94853705
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 8591262

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide (CID 20889265) is 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide is Cc1ccc(Cl)cc1N1CCN(CCNC(=O)Cn2cccc2C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is QYFJEFQPUWNODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-20-9-10-22(27)18-24(20)30-16-14-29(15-17-30)13-11-28-25(32)19-31-12-5-8-23(31)26(33)21-6-3-2-4-7-21/h2-10,12,18H,11,13-17,19H2,1H3,(H,28,32).
What are the key properties of 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide?
2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 465.00 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 20889265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).