N-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide

C33H32Br2N2O — CID 23051630

IUPACN-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide
SMILESO=C(c1ccccc1)N(CCCC=C(c1ccc(Br)cc1)c1ccc(Br)cc1)CCCCc1cccnc1
InChIInChI=1S/C33H32Br2N2O/c34-30-18-14-27(15-19-30)32(28-16-20-31(35)21-17-28)13-5-7-24-37(33(38)29-11-2-1-3-12-29)23-6-4-9-26-10-8-22-36-25-26/h1-3,8,10-22,25H,4-7,9,23-24H2
InChIKeyBFIJSUZQZOVVMG-UHFFFAOYSA-N
MW632.44 g/mol
LogP8.98
Rot. Bonds12

About N-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide

N-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide (PubChem CID 23051630) has the molecular formula C33H32Br2N2O and a molecular weight of 632.44 g/mol. Its IUPAC name is N-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide.

Molecular Properties

Compound NameN-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide
PubChem CID23051630
Molecular FormulaC33H32Br2N2O
Molecular Weight632.44 g/mol
Exact Mass630.09
IUPAC NameN-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide
SMILESO=C(c1ccccc1)N(CCCC=C(c1ccc(Br)cc1)c1ccc(Br)cc1)CCCCc1cccnc1
InChIInChI=1S/C33H32Br2N2O/c34-30-18-14-27(15-19-30)32(28-16-20-31(35)21-17-28)13-5-7-24-37(33(38)29-11-2-1-3-12-29)23-6-4-9-26-10-8-22-36-25-26/h1-3,8,10-22,25H,4-7,9,23-24H2
InChIKeyBFIJSUZQZOVVMG-UHFFFAOYSA-N
XLogP8.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.44
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide?
The IUPAC name of N-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide (CID 23051630) is N-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide.
What is the SMILES notation for N-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide?
The canonical SMILES for N-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide is O=C(c1ccccc1)N(CCCC=C(c1ccc(Br)cc1)c1ccc(Br)cc1)CCCCc1cccnc1.
What is the InChIKey of N-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide?
The InChIKey is BFIJSUZQZOVVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32Br2N2O/c34-30-18-14-27(15-19-30)32(28-16-20-31(35)21-17-28)13-5-7-24-37(33(38)29-11-2-1-3-12-29)23-6-4-9-26-10-8-22-36-25-26/h1-3,8,10-22,25H,4-7,9,23-24H2.
What are the key properties of N-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide?
N-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide has a molecular weight of 632.44 g/mol, XLogP of 8.98, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,5-bis(4-bromophenyl)pent-4-enyl]-N-(4-pyridin-3-ylbutyl)benzamide is sourced from PubChem (CID 23051630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).