N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide

C20H20F2N2O2 — CID 46699053

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCc1ccccc1OC(F)F
InChIInChI=1S/C20H20F2N2O2/c21-20(22)26-18-10-4-1-6-15(18)13-24-19(25)11-5-7-14-12-23-17-9-3-2-8-16(14)17/h1-4,6,8-10,12,20,23H,5,7,11,13H2,(H,24,25)
InChIKeyYPXIYXPIQDQUQQ-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.41
Rot. Bonds8

About N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide

N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 46699053) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
PubChem CID46699053
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCc1ccccc1OC(F)F
InChIInChI=1S/C20H20F2N2O2/c21-20(22)26-18-10-4-1-6-15(18)13-24-19(25)11-5-7-14-12-23-17-9-3-2-8-16(14)17/h1-4,6,8-10,12,20,23H,5,7,11,13H2,(H,24,25)
InChIKeyYPXIYXPIQDQUQQ-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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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
CID 46671165
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[3-(2-fluorophenoxy)propyl]-4-(1H-indol-3-yl)butanamide
CID 16574428
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
4-(1H-indol-3-yl)-N-(1,3-thiazol-5-ylmethyl)butanamide
CID 104579103
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 70209057
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide (CID 46699053) is N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide is O=C(CCCc1c[nH]c2ccccc12)NCc1ccccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is YPXIYXPIQDQUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c21-20(22)26-18-10-4-1-6-15(18)13-24-19(25)11-5-7-14-12-23-17-9-3-2-8-16(14)17/h1-4,6,8-10,12,20,23H,5,7,11,13H2,(H,24,25).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide?
N-[[2-(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-[[2-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 46699053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).