5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide

C14H14BrNO3 — CID 32858696

IUPAC5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(C)cc1CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H14BrNO3/c1-9-3-4-11(18-2)10(7-9)8-16-14(17)12-5-6-13(15)19-12/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyMUZUEAZXUNCJPG-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.29
Rot. Bonds4

About 5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide

5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 32858696) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide
PubChem CID32858696
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(C)cc1CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H14BrNO3/c1-9-3-4-11(18-2)10(7-9)8-16-14(17)12-5-6-13(15)19-12/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyMUZUEAZXUNCJPG-UHFFFAOYSA-N
XLogP3.29
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide
CID 110793657
5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110795187
5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55772378
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide
CID 110795131
5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 27839121
3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
CID 115138980
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 82128305
3-[(2-methoxy-5-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163375
5-bromo-N-[4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46488649
N-[(2,5-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047187

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide (CID 32858696) is 5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide is COc1ccc(C)cc1CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide?
The InChIKey is MUZUEAZXUNCJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-9-3-4-11(18-2)10(7-9)8-16-14(17)12-5-6-13(15)19-12/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide?
5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 32858696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).