5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide

C14H13BrFNO3 — CID 110795187

IUPAC5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(F)cc1CCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H13BrFNO3/c1-19-11-3-2-10(16)8-9(11)6-7-17-14(18)12-4-5-13(15)20-12/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyJQYAVLHCISURGK-UHFFFAOYSA-N
MW342.16 g/mol
LogP3.16
Rot. Bonds5

About 5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide

5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 110795187) has the molecular formula C14H13BrFNO3 and a molecular weight of 342.16 g/mol. Its IUPAC name is 5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID110795187
Molecular FormulaC14H13BrFNO3
Molecular Weight342.16 g/mol
Exact Mass341.01
IUPAC Name5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(F)cc1CCNC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H13BrFNO3/c1-19-11-3-2-10(16)8-9(11)6-7-17-14(18)12-4-5-13(15)20-12/h2-5,8H,6-7H2,1H3,(H,17,18)
InChIKeyJQYAVLHCISURGK-UHFFFAOYSA-N
XLogP3.16
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide
CID 110795131
5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide
CID 32858696
5-bromo-N-[3-[2-(2-methoxy-5-methylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55772378
5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
5-fluoro-2-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 31116235
5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide
CID 51157250
5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 60794862
5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 110795401
5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide
CID 110793657
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
N-[2-(5-bromo-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110788022
2-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 110767149

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide (CID 110795187) is 5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide is COc1ccc(F)cc1CCNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is JQYAVLHCISURGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3/c1-19-11-3-2-10(16)8-9(11)6-7-17-14(18)12-4-5-13(15)20-12/h2-5,8H,6-7H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 342.16 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 110795187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).