N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide

C15H15F2NO3 — CID 42961734

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H15F2NO3/c1-9(18-14(19)13-6-7-20-10(13)2)11-4-3-5-12(8-11)21-15(16)17/h3-9,15H,1-2H3,(H,18,19)
InChIKeyCGUGAHUKMDCNBX-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.68
Rot. Bonds5

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide (PubChem CID 42961734) has the molecular formula C15H15F2NO3 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide
PubChem CID42961734
Molecular FormulaC15H15F2NO3
Molecular Weight295.29 g/mol
Exact Mass295.10
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H15F2NO3/c1-9(18-14(19)13-6-7-20-10(13)2)11-4-3-5-12(8-11)21-15(16)17/h3-9,15H,1-2H3,(H,18,19)
InChIKeyCGUGAHUKMDCNBX-UHFFFAOYSA-N
XLogP3.68
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-oxo-2-[[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]amino]ethyl]furan-3-carboxamide
CID 94488168
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide
CID 42961731
2-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]furan-3-carboxamide
CID 106685966
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 63048536
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylfuran-3-carboxamide
CID 111423746
4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563120
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-methylbut-2-enamide
CID 94117441
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-2-enamide
CID 112727974
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60513620
3-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-fluorobenzamide
CID 55710254
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide
CID 55959876
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 154871578

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide (CID 42961734) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide?
The InChIKey is CGUGAHUKMDCNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3/c1-9(18-14(19)13-6-7-20-10(13)2)11-4-3-5-12(8-11)21-15(16)17/h3-9,15H,1-2H3,(H,18,19).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 42961734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).