N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide

C23H26Cl2N4O — CID 10411237

IUPACN-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30)
InChIKeyCYNHGJORJGHXEX-UHFFFAOYSA-N
MW445.39 g/mol
LogP4.81
Rot. Bonds7

About N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide

N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide (PubChem CID 10411237) has the molecular formula C23H26Cl2N4O and a molecular weight of 445.39 g/mol. Its IUPAC name is N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
PubChem CID10411237
Molecular FormulaC23H26Cl2N4O
Molecular Weight445.39 g/mol
Exact Mass444.15
IUPAC NameN-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30)
InChIKeyCYNHGJORJGHXEX-UHFFFAOYSA-N
XLogP4.81
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide (CID 10411237) is N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide is O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The InChIKey is CYNHGJORJGHXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30).
What are the key properties of N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide has a molecular weight of 445.39 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10411237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).