3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide

C13H12BrNO3 — CID 47034242

IUPAC3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccoc2)cc1Br
InChIInChI=1S/C13H12BrNO3/c1-17-12-3-2-10(6-11(12)14)13(16)15-7-9-4-5-18-8-9/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyPQIOMEJCWWFIKD-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.98
Rot. Bonds4

About 3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide

3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide (PubChem CID 47034242) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide
PubChem CID47034242
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccoc2)cc1Br
InChIInChI=1S/C13H12BrNO3/c1-17-12-3-2-10(6-11(12)14)13(16)15-7-9-4-5-18-8-9/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyPQIOMEJCWWFIKD-UHFFFAOYSA-N
XLogP2.98
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
4-[(4-chlorophenyl)methoxy]-N-(furan-3-ylmethyl)-3-methoxybenzamide
CID 55702606
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-4-methoxy-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114181973
3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 935458
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60735936
2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide
CID 47204815
5-amino-N-(furan-3-ylmethyl)-2-methoxybenzamide
CID 113228275
N-[(3-bromo-4-methoxyphenyl)methyl]benzamide
CID 72547442
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide
CID 62952153
3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
CID 63372843

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide (CID 47034242) is 3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccoc2)cc1Br.
What is the InChIKey of 3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide?
The InChIKey is PQIOMEJCWWFIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-17-12-3-2-10(6-11(12)14)13(16)15-7-9-4-5-18-8-9/h2-6,8H,7H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide?
3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide has a molecular weight of 310.15 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide is sourced from PubChem (CID 47034242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).