5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide

C23H24BrNO4 — CID 110279752

IUPAC5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
SMILESCC(C)c1ccc(C(O)CNC(=O)c2ccc(COc3ccccc3Br)o2)cc1
InChIInChI=1S/C23H24BrNO4/c1-15(2)16-7-9-17(10-8-16)20(26)13-25-23(27)22-12-11-18(29-22)14-28-21-6-4-3-5-19(21)24/h3-12,15,20,26H,13-14H2,1-2H3,(H,25,27)
InChIKeyBFSOZIMRHLHSAA-UHFFFAOYSA-N
MW458.35 g/mol
LogP5.21
Rot. Bonds8

About 5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide

5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide (PubChem CID 110279752) has the molecular formula C23H24BrNO4 and a molecular weight of 458.35 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
PubChem CID110279752
Molecular FormulaC23H24BrNO4
Molecular Weight458.35 g/mol
Exact Mass457.09
IUPAC Name5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
SMILESCC(C)c1ccc(C(O)CNC(=O)c2ccc(COc3ccccc3Br)o2)cc1
InChIInChI=1S/C23H24BrNO4/c1-15(2)16-7-9-17(10-8-16)20(26)13-25-23(27)22-12-11-18(29-22)14-28-21-6-4-3-5-19(21)24/h3-12,15,20,26H,13-14H2,1-2H3,(H,25,27)
InChIKeyBFSOZIMRHLHSAA-UHFFFAOYSA-N
XLogP5.21
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.35
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chloro-4-fluorophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 110279886
5-[(4-chloro-3-methylphenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 110279750
5-[(2-bromophenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19450276
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide
CID 110279746
5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 717010
5-[(2-bromophenoxy)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19450396
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 1002606
5-[(2-bromophenoxy)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 1012463
N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412877
5-ethyl-N-(2-hydroxy-2-phenylethyl)furan-2-carboxamide
CID 43427837
5-[(2-chlorophenoxy)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 6458696
5-[(2-bromophenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19448612

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide (CID 110279752) is 5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide is CC(C)c1ccc(C(O)CNC(=O)c2ccc(COc3ccccc3Br)o2)cc1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is BFSOZIMRHLHSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrNO4/c1-15(2)16-7-9-17(10-8-16)20(26)13-25-23(27)22-12-11-18(29-22)14-28-21-6-4-3-5-19(21)24/h3-12,15,20,26H,13-14H2,1-2H3,(H,25,27).
What are the key properties of 5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide?
5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 458.35 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 110279752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).