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'}

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

1-{[5-(4-Chlorophenyl)-2-furyl]methyl}piperidine
CID 782099
[5-(2-Chlorophenyl)furan-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 4494608
[5-(2-Chlorophenyl)-2-furyl]-(3-methylpiperidino)methanone
CID 18105311
(5-(2,4-Dichlorophenyl)furan-2-yl)(4-methylpiperidin-1-yl)methanethione
CID 2018906
N-[5-(3,4-Dichloro-phenyl)-furan-2-ylmethyl]-N-[1-(3-methyl-butyl)piperidin-4-yl]-4-pentyl-benzamide
CID 59688843
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-4-pentylbenzamide
CID 59688861
N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 164851916
[5-(2-Chlorophenyl)furan-2-yl]-piperidin-1-ylmethanethione
CID 722579
Cambridge id 5420051
CID 782346
5-(2-chlorophenyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 4494602
2-chloro-N-(4-ethylbenzyl)-N-(furan-2-ylmethyl)benzamide
CID 16014332
2-[4-{[5-(2-Chlorophenyl)-2-furyl]methyl}-1-(1-isopropyl-4-piperidinyl)-2-piperazinyl]ethanol
CID 16187290

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).