N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide

C17H12F2N2O3 — CID 25289025

IUPACN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1cccnc1Oc1ccc(F)c(F)c1)c1ccco1
InChIInChI=1S/C17H12F2N2O3/c18-13-6-5-12(9-14(13)19)24-17-11(3-1-7-20-17)10-21-16(22)15-4-2-8-23-15/h1-9H,10H2,(H,21,22)
InChIKeyGGXTZEAJRMKJIL-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.68
Rot. Bonds5

About N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide

N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide (PubChem CID 25289025) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide
PubChem CID25289025
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1cccnc1Oc1ccc(F)c(F)c1)c1ccco1
InChIInChI=1S/C17H12F2N2O3/c18-13-6-5-12(9-14(13)19)24-17-11(3-1-7-20-17)10-21-16(22)15-4-2-8-23-15/h1-9H,10H2,(H,21,22)
InChIKeyGGXTZEAJRMKJIL-UHFFFAOYSA-N
XLogP3.68
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-4-oxopyran-2-carboxamide
CID 56754301
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 56752369
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 42519109
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide
CID 56739429
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 56752511
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42291285
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide
CID 56750373
(2S)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 26413168
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 26405547
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111168859
N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide
CID 56757543

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide (CID 25289025) is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide is O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)c1ccco1.
What is the InChIKey of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide?
The InChIKey is GGXTZEAJRMKJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c18-13-6-5-12(9-14(13)19)24-17-11(3-1-7-20-17)10-21-16(22)15-4-2-8-23-15/h1-9H,10H2,(H,21,22).
What are the key properties of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide?
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 25289025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).