3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide

C13H12BrNO3 — CID 935458

IUPAC3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccco2)cc1Br
InChIInChI=1S/C13H12BrNO3/c1-17-12-5-4-9(7-11(12)14)13(16)15-8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyWJJLPERERCTTAO-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.98
Rot. Bonds4

About 3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide

3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide (PubChem CID 935458) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
PubChem CID935458
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccco2)cc1Br
InChIInChI=1S/C13H12BrNO3/c1-17-12-5-4-9(7-11(12)14)13(16)15-8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyWJJLPERERCTTAO-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-ethyl-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 110761912
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
3-bromo-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methoxybenzamide
CID 18113807
3-bromo-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 43887006
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
4-N-(2,5-dimethoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046619
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide
CID 47034242
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 110348298

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide (CID 935458) is 3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccco2)cc1Br.
What is the InChIKey of 3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide?
The InChIKey is WJJLPERERCTTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-17-12-5-4-9(7-11(12)14)13(16)15-8-10-3-2-6-18-10/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide?
3-bromo-N-(furan-2-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-2-ylmethyl)-4-methoxybenzamide is sourced from PubChem (CID 935458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).