3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide

C20H23F2NO2 — CID 112814215

IUPAC3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)CCc1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C20H23F2NO2/c1-2-6-18(16-7-4-3-5-8-16)23-19(24)14-11-15-9-12-17(13-10-15)25-20(21)22/h3-5,7-10,12-13,18,20H,2,6,11,14H2,1H3,(H,23,24)
InChIKeyZPKMWGXXRROGHT-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.88
Rot. Bonds9

About 3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide

3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide (PubChem CID 112814215) has the molecular formula C20H23F2NO2 and a molecular weight of 347.41 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide
PubChem CID112814215
Molecular FormulaC20H23F2NO2
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)CCc1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C20H23F2NO2/c1-2-6-18(16-7-4-3-5-8-16)23-19(24)14-11-15-9-12-17(13-10-15)25-20(21)22/h3-5,7-10,12-13,18,20H,2,6,11,14H2,1H3,(H,23,24)
InChIKeyZPKMWGXXRROGHT-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[4-(difluoromethoxy)phenyl]propanoylamino]-4-phenylbutanoic acid
CID 119201407
4-[3-(4-ethoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119200943
4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201187
2-[3-[4-(difluoromethoxy)phenyl]propanoylamino]propanoic acid
CID 119225804
1-[4-(difluoromethoxy)phenyl]-3-[(1S)-1-phenylbutyl]thiourea
CID 9231601
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201110
N-[(2S)-1-aminopropan-2-yl]-3-[4-(difluoromethoxy)phenyl]propanamide
CID 120507742
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
3-(1-methylpyrazol-4-yl)-N-[(1S)-1-phenylbutyl]propanamide
CID 94580103
N-(1,2-diphenylethyl)-3-(4-octoxyphenyl)propanamide
CID 67913687

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide (CID 112814215) is 3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide is CCCC(NC(=O)CCc1ccc(OC(F)F)cc1)c1ccccc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide?
The InChIKey is ZPKMWGXXRROGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO2/c1-2-6-18(16-7-4-3-5-8-16)23-19(24)14-11-15-9-12-17(13-10-15)25-20(21)22/h3-5,7-10,12-13,18,20H,2,6,11,14H2,1H3,(H,23,24).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide?
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide has a molecular weight of 347.41 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-(1-phenylbutyl)propanamide is sourced from PubChem (CID 112814215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).