N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide

C22H20F2N2O3 — CID 55776871

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCC(NC(=O)c1cccc(OCc2cccnc2)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C22H20F2N2O3/c1-15(17-6-2-9-20(11-17)29-22(23)24)26-21(27)18-7-3-8-19(12-18)28-14-16-5-4-10-25-13-16/h2-13,15,22H,14H2,1H3,(H,26,27)
InChIKeyFVDAKCJEESVHIO-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.75
Rot. Bonds8

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55776871) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide
PubChem CID55776871
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide
SMILESCC(NC(=O)c1cccc(OCc2cccnc2)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C22H20F2N2O3/c1-15(17-6-2-9-20(11-17)29-22(23)24)26-21(27)18-7-3-8-19(12-18)28-14-16-5-4-10-25-13-16/h2-13,15,22H,14H2,1H3,(H,26,27)
InChIKeyFVDAKCJEESVHIO-UHFFFAOYSA-N
XLogP4.75
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-acetamidophenyl)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55774349
3-phenyl-2-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]butanoic acid
CID 146099183
N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide
CID 154858888
N-[(1R)-1-cyano-2-methylpropyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 86815583
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-pyrimidin-5-ylacetamide
CID 124884144
(3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid
CID 124883319
3-(pyridin-3-ylmethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 97089751
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 111483720

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide (CID 55776871) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide is CC(NC(=O)c1cccc(OCc2cccnc2)c1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is FVDAKCJEESVHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c1-15(17-6-2-9-20(11-17)29-22(23)24)26-21(27)18-7-3-8-19(12-18)28-14-16-5-4-10-25-13-16/h2-13,15,22H,14H2,1H3,(H,26,27).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 398.41 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55776871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).