N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide

C17H17BrClN3O3 — CID 17027307

IUPACN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide
SMILESCC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C17H17BrClN3O3/c1-11(23)21-7-9-22(10-8-21)16-12(19)3-2-4-13(16)20-17(24)14-5-6-15(18)25-14/h2-6H,7-10H2,1H3,(H,20,24)
InChIKeyVHPPODIXJOXBEV-UHFFFAOYSA-N
MW426.70 g/mol
LogP3.62
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide

N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide (PubChem CID 17027307) has the molecular formula C17H17BrClN3O3 and a molecular weight of 426.70 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide
PubChem CID17027307
Molecular FormulaC17H17BrClN3O3
Molecular Weight426.70 g/mol
Exact Mass425.01
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide
SMILESCC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C17H17BrClN3O3/c1-11(23)21-7-9-22(10-8-21)16-12(19)3-2-4-13(16)20-17(24)14-5-6-15(18)25-14/h2-6H,7-10H2,1H3,(H,20,24)
InChIKeyVHPPODIXJOXBEV-UHFFFAOYSA-N
XLogP3.62
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.70
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-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-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide (CID 17027307) is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide is CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide?
The InChIKey is VHPPODIXJOXBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN3O3/c1-11(23)21-7-9-22(10-8-21)16-12(19)3-2-4-13(16)20-17(24)14-5-6-15(18)25-14/h2-6H,7-10H2,1H3,(H,20,24).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide?
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide has a molecular weight of 426.70 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 17027307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).