5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide

C13H12BrNO3 — CID 2539105

IUPAC5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C13H12BrNO3/c1-17-10-4-2-3-9(7-10)8-15-13(16)11-5-6-12(14)18-11/h2-7H,8H2,1H3,(H,15,16)
InChIKeyUYIPHVNSEGEUAV-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.98
Rot. Bonds4

About 5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide

5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 2539105) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID2539105
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C13H12BrNO3/c1-17-10-4-2-3-9(7-10)8-15-13(16)11-5-6-12(14)18-11/h2-7H,8H2,1H3,(H,15,16)
InChIKeyUYIPHVNSEGEUAV-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-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 8014074
5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide
CID 90596276
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
CID 103882071
1-(5-bromofuran-2-carbonyl)-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117062
2-bromo-6-chloro-N-[(3-methoxyphenyl)methyl]benzamide
CID 86296545
3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 106544075
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide
CID 110793657
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
CID 20899333
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide (CID 2539105) is 5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide is COc1cccc(CNC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is UYIPHVNSEGEUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-17-10-4-2-3-9(7-10)8-15-13(16)11-5-6-12(14)18-11/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide?
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide 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 5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 2539105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).