5-bromo-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide

C17H19BrClN3O2 — CID 979869

IUPAC5-bromo-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C17H19BrClN3O2/c1-2-21-8-10-22(11-9-21)16-12(19)4-3-5-13(16)20-17(23)14-6-7-15(18)24-14/h3-7H,2,8-11H2,1H3,(H,20,23)
InChIKeyPRHPUPZVWXCHHI-UHFFFAOYSA-N
MW412.72 g/mol
LogP4.09
Rot. Bonds4

About 5-bromo-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide

5-bromo-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 979869) has the molecular formula C17H19BrClN3O2 and a molecular weight of 412.72 g/mol. Its IUPAC name is 5-bromo-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide
PubChem CID979869
Molecular FormulaC17H19BrClN3O2
Molecular Weight412.72 g/mol
Exact Mass411.03
IUPAC Name5-bromo-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C17H19BrClN3O2/c1-2-21-8-10-22(11-9-21)16-12(19)4-3-5-13(16)20-17(23)14-6-7-15(18)24-14/h3-7H,2,8-11H2,1H3,(H,20,23)
InChIKeyPRHPUPZVWXCHHI-UHFFFAOYSA-N
XLogP4.09
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.72
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide (CID 979869) is 5-bromo-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide is CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 5-bromo-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is PRHPUPZVWXCHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN3O2/c1-2-21-8-10-22(11-9-21)16-12(19)4-3-5-13(16)20-17(23)14-6-7-15(18)24-14/h3-7H,2,8-11H2,1H3,(H,20,23).
What are the key properties of 5-bromo-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 412.72 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 979869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).