N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide

C13H11F2NO2 — CID 51265265

IUPACN-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H11F2NO2/c1-8(9-2-3-11(14)12(15)6-9)16-13(17)10-4-5-18-7-10/h2-8H,1H3,(H,16,17)
InChIKeyOANQDRZZZKKGMC-UHFFFAOYSA-N
MW251.23 g/mol
LogP3.05
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide

N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide (PubChem CID 51265265) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide
PubChem CID51265265
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H11F2NO2/c1-8(9-2-3-11(14)12(15)6-9)16-13(17)10-4-5-18-7-10/h2-8H,1H3,(H,16,17)
InChIKeyOANQDRZZZKKGMC-UHFFFAOYSA-N
XLogP3.05
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(3,4-difluorophenyl)ethylcarbamoylamino]phenyl]furan-3-carboxamide
CID 60611979
N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide
CID 51264786
N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 37354271
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
N-[1-(4-ethylphenyl)ethyl]furan-3-carboxamide
CID 51265005
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
CID 39991415
N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide
CID 46415111
N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide
CID 54936164
N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 18112634
4-(chloromethyl)-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 43697335
4-(difluoromethylsulfonyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]benzamide
CID 8795001
N-[1-(3,4-difluorophenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46522444

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide (CID 51265265) is N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide?
The InChIKey is OANQDRZZZKKGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c1-8(9-2-3-11(14)12(15)6-9)16-13(17)10-4-5-18-7-10/h2-8H,1H3,(H,16,17).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide?
N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide has a molecular weight of 251.23 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 51265265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).