N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide

C19H19FN2O — CID 31956483

IUPACN-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCCc1cccc(F)c1
InChIInChI=1S/C19H19FN2O/c1-13-17(16-7-2-3-8-18(16)22-13)12-19(23)21-10-9-14-5-4-6-15(20)11-14/h2-8,11,22H,9-10,12H2,1H3,(H,21,23)
InChIKeyWUPZUQUNINONKH-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.52
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide

N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 31956483) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID31956483
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCCc1cccc(F)c1
InChIInChI=1S/C19H19FN2O/c1-13-17(16-7-2-3-8-18(16)22-13)12-19(23)21-10-9-14-5-4-6-15(20)11-14/h2-8,11,22H,9-10,12H2,1H3,(H,21,23)
InChIKeyWUPZUQUNINONKH-UHFFFAOYSA-N
XLogP3.52
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 113211952
2-(3-fluorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085706
2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085814
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 41365353
N-[(3-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54693788
N-[2-(3-fluorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 17397516
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
N-[2-(3-fluorophenyl)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 24550702
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide (CID 31956483) is N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is WUPZUQUNINONKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-13-17(16-7-2-3-8-18(16)22-13)12-19(23)21-10-9-14-5-4-6-15(20)11-14/h2-8,11,22H,9-10,12H2,1H3,(H,21,23).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 310.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 31956483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).