5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide

C14H14BrNO3 — CID 90499560

IUPAC5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide
SMILESO=C(NCCC(O)c1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C14H14BrNO3/c15-13-7-6-12(19-13)14(18)16-9-8-11(17)10-4-2-1-3-5-10/h1-7,11,17H,8-9H2,(H,16,18)
InChIKeyAZECOENMXMHCOP-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.90
Rot. Bonds5

About 5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide

5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide (PubChem CID 90499560) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide
PubChem CID90499560
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide
SMILESO=C(NCCC(O)c1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C14H14BrNO3/c15-13-7-6-12(19-13)14(18)16-9-8-11(17)10-4-2-1-3-5-10/h1-7,11,17H,8-9H2,(H,16,18)
InChIKeyAZECOENMXMHCOP-UHFFFAOYSA-N
XLogP2.90
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-bromofuran-2-carboxamide
CID 97414288
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926
5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide
CID 26007657
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate
CID 108571926
2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid
CID 16792434
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
3-bromo-N-(3-hydroxy-3-phenylpropyl)-2-methylbenzamide
CID 111471803
5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide
CID 27862886
5-bromo-N-(2-pyrrol-1-ylethyl)furan-2-carboxamide
CID 110742704
N-(3-hydroxy-3-phenylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 111471949

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide (CID 90499560) is 5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide is O=C(NCCC(O)c1ccccc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide?
The InChIKey is AZECOENMXMHCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c15-13-7-6-12(19-13)14(18)16-9-8-11(17)10-4-2-1-3-5-10/h1-7,11,17H,8-9H2,(H,16,18).
What are the key properties of 5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide?
5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide is sourced from PubChem (CID 90499560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).