N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide

C20H20F2N2O — CID 113084215

IUPACN-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide
SMILESCC(C)(CNC(=O)Cc1cccc(F)c1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H20F2N2O/c1-20(2,17-11-23-18-7-6-15(22)10-16(17)18)12-24-19(25)9-13-4-3-5-14(21)8-13/h3-8,10-11,23H,9,12H2,1-2H3,(H,24,25)
InChIKeyYKVUPUXMGDIDPD-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.08
Rot. Bonds5

About N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide

N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113084215) has the molecular formula C20H20F2N2O and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide
PubChem CID113084215
Molecular FormulaC20H20F2N2O
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC NameN-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide
SMILESCC(C)(CNC(=O)Cc1cccc(F)c1)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C20H20F2N2O/c1-20(2,17-11-23-18-7-6-15(22)10-16(17)18)12-24-19(25)9-13-4-3-5-14(21)8-13/h3-8,10-11,23H,9,12H2,1-2H3,(H,24,25)
InChIKeyYKVUPUXMGDIDPD-UHFFFAOYSA-N
XLogP4.08
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084202
2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide
CID 113084172
1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea
CID 113084219
2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide
CID 113084108
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
N-[2-(6-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 113084455
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 113084367
N-[2-(5-chloro-1H-indol-3-yl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 113084290
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 113084102
2-(3-fluorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085706
2-(3-fluorophenyl)-N-[2-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 113090470
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide (CID 113084215) is N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide is CC(C)(CNC(=O)Cc1cccc(F)c1)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is YKVUPUXMGDIDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O/c1-20(2,17-11-23-18-7-6-15(22)10-16(17)18)12-24-19(25)9-13-4-3-5-14(21)8-13/h3-8,10-11,23H,9,12H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide?
N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 342.39 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113084215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).