N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

C22H23F2N3O3 — CID 55849910

IUPACN-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCCC(NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C22H23F2N3O3/c1-3-18(17-6-4-5-7-19(17)30-22(23)24)26-21(28)15-8-10-16(11-9-15)29-14-20-25-12-13-27(20)2/h4-13,18,22H,3,14H2,1-2H3,(H,26,28)
InChIKeyHBNPWUPCJOUHMR-UHFFFAOYSA-N
MW415.44 g/mol
LogP4.48
Rot. Bonds9

About N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide

N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (PubChem CID 55849910) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
PubChem CID55849910
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
SMILESCCC(NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C22H23F2N3O3/c1-3-18(17-6-4-5-7-19(17)30-22(23)24)26-21(28)15-8-10-16(11-9-15)29-14-20-25-12-13-27(20)2/h4-13,18,22H,3,14H2,1-2H3,(H,26,28)
InChIKeyHBNPWUPCJOUHMR-UHFFFAOYSA-N
XLogP4.48
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 51952153
4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide
CID 51952155
4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide
CID 56545716
4-[(1-methylimidazol-2-yl)methoxy]-N-(2-propan-2-yloxyphenyl)benzamide
CID 55873336
N-(2-butoxyphenyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55906144
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide
CID 55656191
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-2-phenoxyacetamide
CID 34703779
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-hydroxy-6-oxopyridine-2-carboxamide
CID 119037362
2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 47045513
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 55672960
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2-propan-2-yloxyphenyl)prop-2-en-1-one
CID 75894759
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide
CID 51942664

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide (CID 55849910) is N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is CCC(NC(=O)c1ccc(OCc2nccn2C)cc1)c1ccccc1OC(F)F.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
The InChIKey is HBNPWUPCJOUHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-3-18(17-6-4-5-7-19(17)30-22(23)24)26-21(28)15-8-10-16(11-9-15)29-14-20-25-12-13-27(20)2/h4-13,18,22H,3,14H2,1-2H3,(H,26,28).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide?
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide has a molecular weight of 415.44 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide is sourced from PubChem (CID 55849910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).