N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide

C34H32ClN3O3 — CID 71678923

IUPACN-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc(C2CCN(CCNC(=O)c3cc4cc(-c5ccc(Cl)cc5)c5ccccc5c4o3)CC2)c1
InChIInChI=1S/C34H32ClN3O3/c1-22(39)37-28-6-4-5-25(19-28)23-13-16-38(17-14-23)18-15-36-34(40)32-21-26-20-31(24-9-11-27(35)12-10-24)29-7-2-3-8-30(29)33(26)41-32/h2-12,19-21,23H,13-18H2,1H3,(H,36,40)(H,37,39)
InChIKeyRIZFXXGICNBSEI-UHFFFAOYSA-N
MW566.10 g/mol
LogP7.47
Rot. Bonds7

About N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide

N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide (PubChem CID 71678923) has the molecular formula C34H32ClN3O3 and a molecular weight of 566.10 g/mol. Its IUPAC name is N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide
PubChem CID71678923
Molecular FormulaC34H32ClN3O3
Molecular Weight566.10 g/mol
Exact Mass565.21
IUPAC NameN-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc(C2CCN(CCNC(=O)c3cc4cc(-c5ccc(Cl)cc5)c5ccccc5c4o3)CC2)c1
InChIInChI=1S/C34H32ClN3O3/c1-22(39)37-28-6-4-5-25(19-28)23-13-16-38(17-14-23)18-15-36-34(40)32-21-26-20-31(24-9-11-27(35)12-10-24)29-7-2-3-8-30(29)33(26)41-32/h2-12,19-21,23H,13-18H2,1H3,(H,36,40)(H,37,39)
InChIKeyRIZFXXGICNBSEI-UHFFFAOYSA-N
XLogP7.47
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.10
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide
CID 71679421
N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(1-methylindol-5-yl)benzo[g][1]benzofuran-2-carboxamide
CID 71679743
N-[3-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-bromobenzo[g][1]benzofuran-2-carboxamide
CID 72715430
N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]-5-(4-fluorophenyl)benzo[g][1]benzofuran-2-carboxamide
CID 142713770
N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]propyl]benzo[g][1]benzofuran-2-carboxamide
CID 142713736
N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
CID 16756402
N-[3-[1-[3-[4-[(4-chlorophenyl)methyl]-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 71726848
N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
CID 11591644
N-[3-[1-[3-[4-(4-chlorophenyl)sulfanyl-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 71726980
N-[3-[1-[3-[4-(4-chlorophenyl)sulfonyl-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 71727102
N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25116781
N-[3-[1-[3-[4-(4-chloropiperidin-1-yl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 71727449

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide (CID 71678923) is N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide is CC(=O)Nc1cccc(C2CCN(CCNC(=O)c3cc4cc(-c5ccc(Cl)cc5)c5ccccc5c4o3)CC2)c1.
What is the InChIKey of N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide?
The InChIKey is RIZFXXGICNBSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClN3O3/c1-22(39)37-28-6-4-5-25(19-28)23-13-16-38(17-14-23)18-15-36-34(40)32-21-26-20-31(24-9-11-27(35)12-10-24)29-7-2-3-8-30(29)33(26)41-32/h2-12,19-21,23H,13-18H2,1H3,(H,36,40)(H,37,39).
What are the key properties of N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide?
N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide has a molecular weight of 566.10 g/mol, XLogP of 7.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-acetamidophenyl)piperidin-1-yl]ethyl]-5-(4-chlorophenyl)benzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 71678923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).