N-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide

C24H17BrN2O3 — CID 1007337

IUPACN-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1)c1ccccc1
InChIInChI=1S/C24H17BrN2O3/c25-18-11-9-16(10-12-18)21-13-14-22(30-21)24(29)27-20-8-4-7-19(15-20)26-23(28)17-5-2-1-3-6-17/h1-15H,(H,26,28)(H,27,29)
InChIKeyIRZJZUGHPKIWPO-UHFFFAOYSA-N
MW461.32 g/mol
LogP6.21
Rot. Bonds5

About N-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide

N-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide (PubChem CID 1007337) has the molecular formula C24H17BrN2O3 and a molecular weight of 461.32 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide
PubChem CID1007337
Molecular FormulaC24H17BrN2O3
Molecular Weight461.32 g/mol
Exact Mass460.04
IUPAC NameN-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1)c1ccccc1
InChIInChI=1S/C24H17BrN2O3/c25-18-11-9-16(10-12-18)21-13-14-22(30-21)24(29)27-20-8-4-7-19(15-20)26-23(28)17-5-2-1-3-6-17/h1-15H,(H,26,28)(H,27,29)
InChIKeyIRZJZUGHPKIWPO-UHFFFAOYSA-N
XLogP6.21
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.32
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-benzamidophenyl)-5-(4-bromophenyl)furan-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

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide (CID 1007337) is N-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide is O=C(Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1)c1ccccc1.
What is the InChIKey of N-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide?
The InChIKey is IRZJZUGHPKIWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN2O3/c25-18-11-9-16(10-12-18)21-13-14-22(30-21)24(29)27-20-8-4-7-19(15-20)26-23(28)17-5-2-1-3-6-17/h1-15H,(H,26,28)(H,27,29).
What are the key properties of N-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide?
N-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide has a molecular weight of 461.32 g/mol, XLogP of 6.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-5-(4-bromophenyl)furan-2-carboxamide is sourced from PubChem (CID 1007337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).