N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide

C14H13F2NO3 — CID 39991415

IUPACN-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H13F2NO3/c1-9(17-13(18)11-6-7-19-8-11)10-2-4-12(5-3-10)20-14(15)16/h2-9,14H,1H3,(H,17,18)/t9-/m0/s1
InChIKeyVBJHXMTVVIUNQA-VIFPVBQESA-N
MW281.26 g/mol
LogP3.37
Rot. Bonds5

About N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide

N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide (PubChem CID 39991415) has the molecular formula C14H13F2NO3 and a molecular weight of 281.26 g/mol. Its IUPAC name is N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
PubChem CID39991415
Molecular FormulaC14H13F2NO3
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC NameN-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1ccoc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H13F2NO3/c1-9(17-13(18)11-6-7-19-8-11)10-2-4-12(5-3-10)20-14(15)16/h2-9,14H,1H3,(H,17,18)/t9-/m0/s1
InChIKeyVBJHXMTVVIUNQA-VIFPVBQESA-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-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 7948910
N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 37354271
N-[1-[2-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
CID 42953720
N-[1-(4-ethylphenyl)ethyl]furan-3-carboxamide
CID 51265005
N-[1-[4-(aminomethyl)phenyl]ethyl]furan-3-carboxamide
CID 54936164
N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide
CID 51265265
3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide
CID 51933816
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 39991399
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525778
N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide
CID 46415111
N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide
CID 51264786
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 42948366

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide?
The IUPAC name of N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide (CID 39991415) is N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide is C[C@H](NC(=O)c1ccoc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide?
The InChIKey is VBJHXMTVVIUNQA-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13F2NO3/c1-9(17-13(18)11-6-7-19-8-11)10-2-4-12(5-3-10)20-14(15)16/h2-9,14H,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide?
N-[(1S)-1-[4-(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-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 39991415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).