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

C18H20F2N2O2 — CID 56739429

IUPACN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C18H20F2N2O2/c1-18(2,3)10-16(23)22-11-12-5-4-8-21-17(12)24-13-6-7-14(19)15(20)9-13/h4-9H,10-11H2,1-3H3,(H,22,23)
InChIKeySAPVGDKIUJSKJJ-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.20
Rot. Bonds5

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

N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide (PubChem CID 56739429) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide
PubChem CID56739429
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1
InChIInChI=1S/C18H20F2N2O2/c1-18(2,3)10-16(23)22-11-12-5-4-8-21-17(12)24-13-6-7-14(19)15(20)9-13/h4-9H,10-11H2,1-3H3,(H,22,23)
InChIKeySAPVGDKIUJSKJJ-UHFFFAOYSA-N
XLogP4.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 26405547
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]furan-2-carboxamide
CID 25289025
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-hydroxy-4-methylbenzamide
CID 56750373
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 56752369
(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]-5-hydroxy-4-oxopyran-2-carboxamide
CID 56754301
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]-6-propan-2-ylpyridazin-3-amine
CID 56701060
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxyacetamide
CID 56751588
2-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 56722126

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide (CID 56739429) is N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCc1cccnc1Oc1ccc(F)c(F)c1.
What is the InChIKey of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide?
The InChIKey is SAPVGDKIUJSKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-18(2,3)10-16(23)22-11-12-5-4-8-21-17(12)24-13-6-7-14(19)15(20)9-13/h4-9H,10-11H2,1-3H3,(H,22,23).
What are the key properties of N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide?
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide has a molecular weight of 334.37 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 56739429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).