5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide

C13H10BrF2NO2 — CID 51150401

IUPAC5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)o1)c1ccc(F)cc1F
InChIInChI=1S/C13H10BrF2NO2/c1-7(9-3-2-8(15)6-10(9)16)17-13(18)11-4-5-12(14)19-11/h2-7H,1H3,(H,17,18)
InChIKeyWKVMYTNHLCVYMX-UHFFFAOYSA-N
MW330.13 g/mol
LogP3.81
Rot. Bonds3

About 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide

5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide (PubChem CID 51150401) has the molecular formula C13H10BrF2NO2 and a molecular weight of 330.13 g/mol. Its IUPAC name is 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide
PubChem CID51150401
Molecular FormulaC13H10BrF2NO2
Molecular Weight330.13 g/mol
Exact Mass328.99
IUPAC Name5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)o1)c1ccc(F)cc1F
InChIInChI=1S/C13H10BrF2NO2/c1-7(9-3-2-8(15)6-10(9)16)17-13(18)11-4-5-12(14)19-11/h2-7H,1H3,(H,17,18)
InChIKeyWKVMYTNHLCVYMX-UHFFFAOYSA-N
XLogP3.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 60794862
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 8014093
N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide
CID 86930731
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 9429422
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 8782108
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 114371082
3-bromo-N-[1-(2,4-difluorophenyl)ethyl]-5-methylbenzamide
CID 104852174
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
3-bromo-4-chloro-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 107999356
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide (CID 51150401) is 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide is CC(NC(=O)c1ccc(Br)o1)c1ccc(F)cc1F.
What is the InChIKey of 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide?
The InChIKey is WKVMYTNHLCVYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2/c1-7(9-3-2-8(15)6-10(9)16)17-13(18)11-4-5-12(14)19-11/h2-7H,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide?
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide has a molecular weight of 330.13 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 51150401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).