3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide

C25H24F2N2O3 — CID 55656426

IUPAC3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide
SMILESCCC(NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)c1ccccc1OC(F)F
InChIInChI=1S/C25H24F2N2O3/c1-3-20(19-11-7-8-12-22(19)32-25(26)27)28-24(31)18-14-13-16(2)21(15-18)29-23(30)17-9-5-4-6-10-17/h4-15,20,25H,3H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyZPSYVCUFBWXZBQ-UHFFFAOYSA-N
MW438.47 g/mol
LogP5.73
Rot. Bonds8

About 3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide

3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide (PubChem CID 55656426) has the molecular formula C25H24F2N2O3 and a molecular weight of 438.47 g/mol. Its IUPAC name is 3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide
PubChem CID55656426
Molecular FormulaC25H24F2N2O3
Molecular Weight438.47 g/mol
Exact Mass438.18
IUPAC Name3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide
SMILESCCC(NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)c1ccccc1OC(F)F
InChIInChI=1S/C25H24F2N2O3/c1-3-20(19-11-7-8-12-22(19)32-25(26)27)28-24(31)18-14-13-16(2)21(15-18)29-23(30)17-9-5-4-6-10-17/h4-15,20,25H,3H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyZPSYVCUFBWXZBQ-UHFFFAOYSA-N
XLogP5.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.47
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]benzamide
CID 42959688
4-[4-[1-[2-(difluoromethoxy)phenyl]propylcarbamoyl]phenoxy]benzamide
CID 56545716
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(ethylsulfamoyl)benzamide
CID 55656191
3-benzamido-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-4-methylbenzamide
CID 60615050
methyl 3-[[4-(difluoromethoxy)-3-ethoxybenzoyl]amino]-4-methylbenzoate
CID 8920037
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560678
4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55656144
1-(2-bromophenyl)-3-[1-[2-(difluoromethoxy)phenyl]propyl]urea
CID 55696855
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
(2S)-2-[(3-benzamido-4-methylbenzoyl)amino]-3-methylbutanoic acid
CID 119360446
3-benzamido-N,4-dimethylbenzamide
CID 17226324
N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-(3,6-dioxodiazinan-1-yl)benzamide
CID 47783140

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide?
The IUPAC name of 3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide (CID 55656426) is 3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide.
What is the SMILES notation for 3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide?
The canonical SMILES for 3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide is CCC(NC(=O)c1ccc(C)c(NC(=O)c2ccccc2)c1)c1ccccc1OC(F)F.
What is the InChIKey of 3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide?
The InChIKey is ZPSYVCUFBWXZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O3/c1-3-20(19-11-7-8-12-22(19)32-25(26)27)28-24(31)18-14-13-16(2)21(15-18)29-23(30)17-9-5-4-6-10-17/h4-15,20,25H,3H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide?
3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide has a molecular weight of 438.47 g/mol, XLogP of 5.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]-4-methylbenzamide is sourced from PubChem (CID 55656426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).