N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide

C33H43ClN2O2 — CID 59688846

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccccc3Cl)o2)C2CCN(CCC(C)C)CC2)cc1
InChIInChI=1S/C33H43ClN2O2/c1-4-5-6-9-26-12-14-27(15-13-26)33(37)36(28-19-22-35(23-20-28)21-18-25(2)3)24-29-16-17-32(38-29)30-10-7-8-11-31(30)34/h7-8,10-17,25,28H,4-6,9,18-24H2,1-3H3
InChIKeyQMFPUOBOPWEENO-UHFFFAOYSA-N
MW535.17 g/mol
LogP8.49
Rot. Bonds12

About N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide (PubChem CID 59688846) has the molecular formula C33H43ClN2O2 and a molecular weight of 535.17 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide
PubChem CID59688846
Molecular FormulaC33H43ClN2O2
Molecular Weight535.17 g/mol
Exact Mass534.30
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccccc3Cl)o2)C2CCN(CCC(C)C)CC2)cc1
InChIInChI=1S/C33H43ClN2O2/c1-4-5-6-9-26-12-14-27(15-13-26)33(37)36(28-19-22-35(23-20-28)21-18-25(2)3)24-29-16-17-32(38-29)30-10-7-8-11-31(30)34/h7-8,10-17,25,28H,4-6,9,18-24H2,1-3H3
InChIKeyQMFPUOBOPWEENO-UHFFFAOYSA-N
XLogP8.49
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.17
LogP ≤ 58.49
H-Bond Donors ≤ 50
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-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide (CID 59688846) is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide is CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccccc3Cl)o2)C2CCN(CCC(C)C)CC2)cc1.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide?
The InChIKey is QMFPUOBOPWEENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43ClN2O2/c1-4-5-6-9-26-12-14-27(15-13-26)33(37)36(28-19-22-35(23-20-28)21-18-25(2)3)24-29-16-17-32(38-29)30-10-7-8-11-31(30)34/h7-8,10-17,25,28H,4-6,9,18-24H2,1-3H3.
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide?
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide has a molecular weight of 535.17 g/mol, XLogP of 8.49, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide is sourced from PubChem (CID 59688846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).