5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide

C17H20BrN3O3 — CID 1011402

IUPAC5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
SMILESCN1CCN(NC(=O)c2ccc(COc3ccccc3Br)o2)CC1
InChIInChI=1S/C17H20BrN3O3/c1-20-8-10-21(11-9-20)19-17(22)16-7-6-13(24-16)12-23-15-5-3-2-4-14(15)18/h2-7H,8-12H2,1H3,(H,19,22)
InChIKeyBTIXOVJULJCUQC-UHFFFAOYSA-N
MW394.27 g/mol
LogP2.51
Rot. Bonds5

About 5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide

5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide (PubChem CID 1011402) has the molecular formula C17H20BrN3O3 and a molecular weight of 394.27 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
PubChem CID1011402
Molecular FormulaC17H20BrN3O3
Molecular Weight394.27 g/mol
Exact Mass393.07
IUPAC Name5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
SMILESCN1CCN(NC(=O)c2ccc(COc3ccccc3Br)o2)CC1
InChIInChI=1S/C17H20BrN3O3/c1-20-8-10-21(11-9-20)19-17(22)16-7-6-13(24-16)12-23-15-5-3-2-4-14(15)18/h2-7H,8-12H2,1H3,(H,19,22)
InChIKeyBTIXOVJULJCUQC-UHFFFAOYSA-N
XLogP2.51
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide (CID 1011402) is 5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide is CN1CCN(NC(=O)c2ccc(COc3ccccc3Br)o2)CC1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide?
The InChIKey is BTIXOVJULJCUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O3/c1-20-8-10-21(11-9-20)19-17(22)16-7-6-13(24-16)12-23-15-5-3-2-4-14(15)18/h2-7H,8-12H2,1H3,(H,19,22).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide has a molecular weight of 394.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide is sourced from PubChem (CID 1011402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).