2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide

C20H21FN2O2 — CID 32607717

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccccc1CNC(=O)Cc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C20H21FN2O2/c1-13-17(18-9-16(21)7-8-19(18)23-13)10-20(24)22-11-14-5-3-4-6-15(14)12-25-2/h3-9,23H,10-12H2,1-2H3,(H,22,24)
InChIKeyMYUXCPIEZKMAEU-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.62
Rot. Bonds6

About 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 32607717) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID32607717
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccccc1CNC(=O)Cc1c(C)[nH]c2ccc(F)cc12
InChIInChI=1S/C20H21FN2O2/c1-13-17(18-9-16(21)7-8-19(18)23-13)10-20(24)22-11-14-5-3-4-6-15(14)12-25-2/h3-9,23H,10-12H2,1-2H3,(H,22,24)
InChIKeyMYUXCPIEZKMAEU-UHFFFAOYSA-N
XLogP3.62
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31960878
2-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 33065353
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31856595
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide
CID 31899230
N-(2-tert-butylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 113211880
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31908743
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31886769
2-(5-bromo-2-methyl-1H-indol-3-yl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 38756441
N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31901245
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 110889006
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 31883592

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide (CID 32607717) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide is COCc1ccccc1CNC(=O)Cc1c(C)[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is MYUXCPIEZKMAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-13-17(18-9-16(21)7-8-19(18)23-13)10-20(24)22-11-14-5-3-4-6-15(14)12-25-2/h3-9,23H,10-12H2,1-2H3,(H,22,24).
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 340.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 32607717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).