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

C23H25Cl3N4O — CID 10367857

IUPAC5-chloro-N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C23H25Cl3N4O/c24-17-3-5-20-16(13-17)14-21(28-20)23(31)27-7-1-2-8-29-9-11-30(12-10-29)22-6-4-18(25)15-19(22)26/h3-6,13-15,28H,1-2,7-12H2,(H,27,31)
InChIKeyVGPQHQDBSBJSAG-UHFFFAOYSA-N
MW479.84 g/mol
LogP5.46
Rot. Bonds7

About 5-chloro-N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide

5-chloro-N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide (PubChem CID 10367857) has the molecular formula C23H25Cl3N4O and a molecular weight of 479.84 g/mol. Its IUPAC name is 5-chloro-N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
PubChem CID10367857
Molecular FormulaC23H25Cl3N4O
Molecular Weight479.84 g/mol
Exact Mass478.11
IUPAC Name5-chloro-N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C23H25Cl3N4O/c24-17-3-5-20-16(13-17)14-21(28-20)23(31)27-7-1-2-8-29-9-11-30(12-10-29)22-6-4-18(25)15-19(22)26/h3-6,13-15,28H,1-2,7-12H2,(H,27,31)
InChIKeyVGPQHQDBSBJSAG-UHFFFAOYSA-N
XLogP5.46
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.84
LogP ≤ 55.46
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 5-chloro-N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide (CID 10367857) is 5-chloro-N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide is O=C(NCCCCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
The InChIKey is VGPQHQDBSBJSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl3N4O/c24-17-3-5-20-16(13-17)14-21(28-20)23(31)27-7-1-2-8-29-9-11-30(12-10-29)22-6-4-18(25)15-19(22)26/h3-6,13-15,28H,1-2,7-12H2,(H,27,31).
What are the key properties of 5-chloro-N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide?
5-chloro-N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide has a molecular weight of 479.84 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10367857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).