2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide

C13H12BrNO3 — CID 106853584

IUPAC2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccoc1Br
InChIInChI=1S/C13H12BrNO3/c1-15(8-9-3-2-4-10(16)7-9)13(17)11-5-6-18-12(11)14/h2-7,16H,8H2,1H3
InChIKeyJLRZKPHBOFSLON-UHFFFAOYSA-N
MW310.15 g/mol
LogP3.02
Rot. Bonds3

About 2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide

2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide (PubChem CID 106853584) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide
PubChem CID106853584
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide
SMILESCN(Cc1cccc(O)c1)C(=O)c1ccoc1Br
InChIInChI=1S/C13H12BrNO3/c1-15(8-9-3-2-4-10(16)7-9)13(17)11-5-6-18-12(11)14/h2-7,16H,8H2,1H3
InChIKeyJLRZKPHBOFSLON-UHFFFAOYSA-N
XLogP3.02
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
CID 106852279
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide
CID 106853582
2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
CID 106852639
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 65309798
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
4,5-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47340324
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61115143
2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 106853464
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide
CID 106852111
6-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 66464110
2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide
CID 106853803

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide?
The IUPAC name of 2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide (CID 106853584) is 2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide is CN(Cc1cccc(O)c1)C(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide?
The InChIKey is JLRZKPHBOFSLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-15(8-9-3-2-4-10(16)7-9)13(17)11-5-6-18-12(11)14/h2-7,16H,8H2,1H3.
What are the key properties of 2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide?
2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide has a molecular weight of 310.15 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide is sourced from PubChem (CID 106853584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).