5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide

C14H13BrFNO3 — CID 60794862

IUPAC5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H13BrFNO3/c1-8(10-7-9(16)3-4-11(10)19-2)17-14(18)12-5-6-13(15)20-12/h3-8H,1-2H3,(H,17,18)
InChIKeyBLRIBYWYNSIWTM-UHFFFAOYSA-N
MW342.16 g/mol
LogP3.68
Rot. Bonds4

About 5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide

5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 60794862) has the molecular formula C14H13BrFNO3 and a molecular weight of 342.16 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID60794862
Molecular FormulaC14H13BrFNO3
Molecular Weight342.16 g/mol
Exact Mass341.01
IUPAC Name5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H13BrFNO3/c1-8(10-7-9(16)3-4-11(10)19-2)17-14(18)12-5-6-13(15)20-12/h3-8H,1-2H3,(H,17,18)
InChIKeyBLRIBYWYNSIWTM-UHFFFAOYSA-N
XLogP3.68
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 51150401
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 66463904
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110795187
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 75449989
2-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 43701042
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide
CID 47442995
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037
(2R)-2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119292617
[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 9201621
(5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087633

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide (CID 60794862) is 5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide is COc1ccc(F)cc1C(C)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is BLRIBYWYNSIWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3/c1-8(10-7-9(16)3-4-11(10)19-2)17-14(18)12-5-6-13(15)20-12/h3-8H,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide?
5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 342.16 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 60794862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).