2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide

C13H12BrNO3 — CID 47204815

IUPAC2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2ccoc2)c1
InChIInChI=1S/C13H12BrNO3/c1-17-10-2-3-12(14)11(6-10)13(16)15-7-9-4-5-18-8-9/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyIXAVZXRURSIOAP-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.98
Rot. Bonds4

About 2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide

2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide (PubChem CID 47204815) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide
PubChem CID47204815
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2ccoc2)c1
InChIInChI=1S/C13H12BrNO3/c1-17-10-2-3-12(14)11(6-10)13(16)15-7-9-4-5-18-8-9/h2-6,8H,7H2,1H3,(H,15,16)
InChIKeyIXAVZXRURSIOAP-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

2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
CID 107233398
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide
CID 27887990
2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17473474
3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide
CID 47034242
2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47227142
2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46590406
2-bromo-N-[(4-methoxyphenyl)methyl]-5-sulfanylbenzamide
CID 107020380
2-bromo-N-[2-[5-(furan-3-yl)thiophen-2-yl]ethyl]-5-methoxybenzamide
CID 121019446
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
1-(2-amino-5-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602678
5-amino-N-(furan-3-ylmethyl)-2-methoxybenzamide
CID 113228275

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide (CID 47204815) is 2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCc2ccoc2)c1.
What is the InChIKey of 2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide?
The InChIKey is IXAVZXRURSIOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-17-10-2-3-12(14)11(6-10)13(16)15-7-9-4-5-18-8-9/h2-6,8H,7H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide?
2-bromo-N-(furan-3-ylmethyl)-5-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 2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide is sourced from PubChem (CID 47204815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).