5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide

C12H10BrNO3 — CID 110910883

IUPAC5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1coc(Br)c1
InChIInChI=1S/C12H10BrNO3/c13-11-5-9(7-17-11)12(16)14-10-3-1-2-8(4-10)6-15/h1-5,7,15H,6H2,(H,14,16)
InChIKeyGUCCRQZYBUJTBA-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.79
Rot. Bonds3

About 5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide

5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide (PubChem CID 110910883) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide
PubChem CID110910883
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1coc(Br)c1
InChIInChI=1S/C12H10BrNO3/c13-11-5-9(7-17-11)12(16)14-10-3-1-2-8(4-10)6-15/h1-5,7,15H,6H2,(H,14,16)
InChIKeyGUCCRQZYBUJTBA-UHFFFAOYSA-N
XLogP2.79
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 104852214
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922
2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 82110089
3-(dimethylamino)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629966
[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]phosphonic acid
CID 54125815
N-[3-(2-hydroxyethyl)phenyl]benzamide
CID 139896443
N-[3-(hydroxymethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 60630049
4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide
CID 111104838
N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 54898037
2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide
CID 54897744
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
4-bromo-N-[3-(chloromethyl)phenyl]benzamide
CID 113270932

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide?
The IUPAC name of 5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide (CID 110910883) is 5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide is O=C(Nc1cccc(CO)c1)c1coc(Br)c1.
What is the InChIKey of 5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide?
The InChIKey is GUCCRQZYBUJTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c13-11-5-9(7-17-11)12(16)14-10-3-1-2-8(4-10)6-15/h1-5,7,15H,6H2,(H,14,16).
What are the key properties of 5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide?
5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide has a molecular weight of 296.12 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 110910883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).