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

C14H13F2NO3 — CID 42953720

IUPACN-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)c1ccccc1OC(F)F
InChIInChI=1S/C14H13F2NO3/c1-9(17-13(18)10-6-7-19-8-10)11-4-2-3-5-12(11)20-14(15)16/h2-9,14H,1H3,(H,17,18)
InChIKeySBFILLZKFLTWIU-UHFFFAOYSA-N
MW281.26 g/mol
LogP3.37
Rot. Bonds5

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

N-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide (PubChem CID 42953720) has the molecular formula C14H13F2NO3 and a molecular weight of 281.26 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
PubChem CID42953720
Molecular FormulaC14H13F2NO3
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)c1ccccc1OC(F)F
InChIInChI=1S/C14H13F2NO3/c1-9(17-13(18)10-6-7-19-8-10)11-4-2-3-5-12(11)20-14(15)16/h2-9,14H,1H3,(H,17,18)
InChIKeySBFILLZKFLTWIU-UHFFFAOYSA-N
XLogP3.37
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
CID 39991415
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807
2-[2-[1-[2-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569362
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119716596
N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 32592662
4-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 80543450
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119716606
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpropanamide;hydrochloride
CID 119285570
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-ethylbutanamide
CID 79813978
(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119285586
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]furan-3-carboxamide
CID 71985921

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide (CID 42953720) is N-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide?
The InChIKey is SBFILLZKFLTWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3/c1-9(17-13(18)10-6-7-19-8-10)11-4-2-3-5-12(11)20-14(15)16/h2-9,14H,1H3,(H,17,18).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide?
N-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide has a molecular weight of 281.26 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 42953720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).