4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide

C24H22F2N2O4 — CID 56545716

IUPAC4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide
SMILESCCC(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C24H22F2N2O4/c1-2-20(19-5-3-4-6-21(19)32-24(25)26)28-23(30)16-9-13-18(14-10-16)31-17-11-7-15(8-12-17)22(27)29/h3-14,20,24H,2H2,1H3,(H2,27,29)(H,28,30)
InChIKeyZRJHOBMEAOUFKY-UHFFFAOYSA-N
MW440.45 g/mol
LogP5.06
Rot. Bonds9

About 4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide

4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide (PubChem CID 56545716) has the molecular formula C24H22F2N2O4 and a molecular weight of 440.45 g/mol. Its IUPAC name is 4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide
PubChem CID56545716
Molecular FormulaC24H22F2N2O4
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC Name4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide
SMILESCCC(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C24H22F2N2O4/c1-2-20(19-5-3-4-6-21(19)32-24(25)26)28-23(30)16-9-13-18(14-10-16)31-17-11-7-15(8-12-17)22(27)29/h3-14,20,24H,2H2,1H3,(H2,27,29)(H,28,30)
InChIKeyZRJHOBMEAOUFKY-UHFFFAOYSA-N
XLogP5.06
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.45
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide
CID 55656191
3-acetamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]benzamide
CID 42959688
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55849910
3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide
CID 55656426
4-[2-[(1R)-1-hydroxypropyl]phenoxy]benzamide
CID 103960520
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(3,6-dioxodiazinan-1-yl)benzamide
CID 47783140
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
N-[1-[2-(difluoromethoxy)phenyl]propyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60511438
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38979661
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide
CID 51942664
4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55656144

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide (CID 56545716) is 4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide is CCC(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)c1ccccc1OC(F)F.
What is the InChIKey of 4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide?
The InChIKey is ZRJHOBMEAOUFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O4/c1-2-20(19-5-3-4-6-21(19)32-24(25)26)28-23(30)16-9-13-18(14-10-16)31-17-11-7-15(8-12-17)22(27)29/h3-14,20,24H,2H2,1H3,(H2,27,29)(H,28,30).
What are the key properties of 4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide?
4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide has a molecular weight of 440.45 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).