N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide

C20H20F2N2O2 — CID 46671165

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H20F2N2O2/c21-20(22)26-16-10-8-14(9-11-16)12-24-19(25)7-3-4-15-13-23-18-6-2-1-5-17(15)18/h1-2,5-6,8-11,13,20,23H,3-4,7,12H2,(H,24,25)
InChIKeyIPLPJJUTWGMLFS-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.41
Rot. Bonds8

About N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide

N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 46671165) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
PubChem CID46671165
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C20H20F2N2O2/c21-20(22)26-16-10-8-14(9-11-16)12-24-19(25)7-3-4-15-13-23-18-6-2-1-5-17(15)18/h1-2,5-6,8-11,13,20,23H,3-4,7,12H2,(H,24,25)
InChIKeyIPLPJJUTWGMLFS-UHFFFAOYSA-N
XLogP4.41
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide (CID 46671165) is N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is IPLPJJUTWGMLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c21-20(22)26-16-10-8-14(9-11-16)12-24-19(25)7-3-4-15-13-23-18-6-2-1-5-17(15)18/h1-2,5-6,8-11,13,20,23H,3-4,7,12H2,(H,24,25).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 358.39 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 46671165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).