5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide

C18H20BrN3O4 — CID 78888913

IUPAC5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(CCO)CC2)c1)c1ccc(Br)o1
InChIInChI=1S/C18H20BrN3O4/c19-16-5-4-15(26-16)17(24)20-14-3-1-2-13(12-14)18(25)22-8-6-21(7-9-22)10-11-23/h1-5,12,23H,6-11H2,(H,20,24)
InChIKeyMAQSKNIWZXLGPK-UHFFFAOYSA-N
MW422.28 g/mol
LogP2.04
Rot. Bonds5

About 5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 78888913) has the molecular formula C18H20BrN3O4 and a molecular weight of 422.28 g/mol. Its IUPAC name is 5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID78888913
Molecular FormulaC18H20BrN3O4
Molecular Weight422.28 g/mol
Exact Mass421.06
IUPAC Name5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(CCO)CC2)c1)c1ccc(Br)o1
InChIInChI=1S/C18H20BrN3O4/c19-16-5-4-15(26-16)17(24)20-14-3-1-2-13(12-14)18(25)22-8-6-21(7-9-22)10-11-23/h1-5,12,23H,6-11H2,(H,20,24)
InChIKeyMAQSKNIWZXLGPK-UHFFFAOYSA-N
XLogP2.04
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 55775222
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N-[3-[4-(1-amino-1-oxopropan-2-yl)piperazine-1-carbonyl]phenyl]-5-bromofuran-2-carboxamide
CID 86955154
5-bromo-N-[3-(4-cyanopiperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 49061820
5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 112832556
5-bromo-N-[3-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55774560
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CID 55773981
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
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N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
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5-bromo-N-[3-(7-methyl-2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
CID 112835756
(5-bromofuran-2-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308791
5-bromo-N-[3-[[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 60610299

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide (CID 78888913) is 5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide is O=C(Nc1cccc(C(=O)N2CCN(CCO)CC2)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is MAQSKNIWZXLGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O4/c19-16-5-4-15(26-16)17(24)20-14-3-1-2-13(12-14)18(25)22-8-6-21(7-9-22)10-11-23/h1-5,12,23H,6-11H2,(H,20,24).
What are the key properties of 5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 422.28 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 78888913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).