2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide

C13H12BrNO3 — CID 107231304

IUPAC2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(CO)cc1)c1ccoc1Br
InChIInChI=1S/C13H12BrNO3/c14-12-11(5-6-18-12)13(17)15-7-9-1-3-10(8-16)4-2-9/h1-6,16H,7-8H2,(H,15,17)
InChIKeyDRHJRXGVGSFPFU-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.46
Rot. Bonds4

About 2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide

2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide (PubChem CID 107231304) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide
PubChem CID107231304
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(CO)cc1)c1ccoc1Br
InChIInChI=1S/C13H12BrNO3/c14-12-11(5-6-18-12)13(17)15-7-9-1-3-10(8-16)4-2-9/h1-6,16H,7-8H2,(H,15,17)
InChIKeyDRHJRXGVGSFPFU-UHFFFAOYSA-N
XLogP2.46
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide
CID 106852538
N-[(4-acetamidophenyl)methyl]-2-bromofuran-3-carboxamide
CID 106852888
N-[2-(4-aminophenyl)ethyl]-2-bromofuran-3-carboxamide
CID 106850800
N-[(5-amino-2-hydroxyphenyl)methyl]-2-bromofuran-3-carboxamide
CID 106850782
2-bromo-N-(3-iodopropyl)furan-3-carboxamide
CID 106856228
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide
CID 107231263
N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide
CID 106852672
2-bromo-N-[(6-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853869
N-benzyl-4-(hydroxymethyl)benzamide
CID 4125778
2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853950
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 106853946
2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 106686527

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide (CID 107231304) is 2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide is O=C(NCc1ccc(CO)cc1)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide?
The InChIKey is DRHJRXGVGSFPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c14-12-11(5-6-18-12)13(17)15-7-9-1-3-10(8-16)4-2-9/h1-6,16H,7-8H2,(H,15,17).
What are the key properties of 2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide?
2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide has a molecular weight of 310.15 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 107231304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).