5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide

C30H28BrN3O3 — CID 17050290

IUPAC5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5ccc(Br)cc5)o4)cc3)CC2)cc1
InChIInChI=1S/C30H28BrN3O3/c1-2-21-3-5-23(6-4-21)30(36)34-19-17-33(18-20-34)26-13-11-25(12-14-26)32-29(35)28-16-15-27(37-28)22-7-9-24(31)10-8-22/h3-16H,2,17-20H2,1H3,(H,32,35)
InChIKeyLUOCZQYKPMVPQF-UHFFFAOYSA-N
MW558.48 g/mol
LogP6.49
Rot. Bonds6

About 5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide

5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide (PubChem CID 17050290) has the molecular formula C30H28BrN3O3 and a molecular weight of 558.48 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
PubChem CID17050290
Molecular FormulaC30H28BrN3O3
Molecular Weight558.48 g/mol
Exact Mass557.13
IUPAC Name5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
SMILESCCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5ccc(Br)cc5)o4)cc3)CC2)cc1
InChIInChI=1S/C30H28BrN3O3/c1-2-21-3-5-23(6-4-21)30(36)34-19-17-33(18-20-34)26-13-11-25(12-14-26)32-29(35)28-16-15-27(37-28)22-7-9-24(31)10-8-22/h3-16H,2,17-20H2,1H3,(H,32,35)
InChIKeyLUOCZQYKPMVPQF-UHFFFAOYSA-N
XLogP6.49
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.48
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]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

Related Compounds

5-(4-bromophenyl)-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17335416
5-(4-bromophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 1017506
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide
CID 17050565
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 17358570
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 17358556
methyl 4-(4-benzoylpiperazin-1-yl)-3-[[5-(4-bromophenyl)furan-2-carbonyl]amino]benzoate
CID 17092159
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-2-iodobenzamide
CID 17358702
3-chloro-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 17050618
5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 1316619
5-(4-bromophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-2-carboxamide
CID 3301806
3,4,5-triethoxy-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17358334
5-bromo-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17128006

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide (CID 17050290) is 5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide is CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(-c5ccc(Br)cc5)o4)cc3)CC2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
The InChIKey is LUOCZQYKPMVPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28BrN3O3/c1-2-21-3-5-23(6-4-21)30(36)34-19-17-33(18-20-34)26-13-11-25(12-14-26)32-29(35)28-16-15-27(37-28)22-7-9-24(31)10-8-22/h3-16H,2,17-20H2,1H3,(H,32,35).
What are the key properties of 5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide?
5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 558.48 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 17050290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).