2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide

C18H17FN2O — CID 110782275

IUPAC2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
SMILESCn1cc(CNC(=O)Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C18H17FN2O/c1-21-12-14(15-7-3-5-9-17(15)21)11-20-18(22)10-13-6-2-4-8-16(13)19/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyOPGIBRQFGFDDRY-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.18
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide

2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide (PubChem CID 110782275) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
PubChem CID110782275
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC Name2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
SMILESCn1cc(CNC(=O)Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C18H17FN2O/c1-21-12-14(15-7-3-5-9-17(15)21)11-20-18(22)10-13-6-2-4-8-16(13)19/h2-9,12H,10-11H2,1H3,(H,20,22)
InChIKeyOPGIBRQFGFDDRY-UHFFFAOYSA-N
XLogP3.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
N-[2-(2-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 40718604
N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158236
N-(2-aminopropyl)-2-(1-methylindol-3-yl)acetamide
CID 110832860
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115153662
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
1-tert-butyl-3-[(1-methylindol-3-yl)methyl]urea
CID 110775093
3-amino-2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115154655
N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide
CID 90537865
N-[(1-methylindol-3-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 110782279

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide (CID 110782275) is 2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide is Cn1cc(CNC(=O)Cc2ccccc2F)c2ccccc21.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide?
The InChIKey is OPGIBRQFGFDDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-21-12-14(15-7-3-5-9-17(15)21)11-20-18(22)10-13-6-2-4-8-16(13)19/h2-9,12H,10-11H2,1H3,(H,20,22).
What are the key properties of 2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide?
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide has a molecular weight of 296.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide is sourced from PubChem (CID 110782275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).