2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide

C20H21FN2O — CID 113211396

IUPAC2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCc1c(CC(=O)NCCc2ccc(F)cc2)c2ccccc2n1C
InChIInChI=1S/C20H21FN2O/c1-14-18(17-5-3-4-6-19(17)23(14)2)13-20(24)22-12-11-15-7-9-16(21)10-8-15/h3-10H,11-13H2,1-2H3,(H,22,24)
InChIKeyOMRLNMIYBANLSH-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.53
Rot. Bonds5

About 2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide

2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 113211396) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID113211396
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCc1c(CC(=O)NCCc2ccc(F)cc2)c2ccccc2n1C
InChIInChI=1S/C20H21FN2O/c1-14-18(17-5-3-4-6-19(17)23(14)2)13-20(24)22-12-11-15-7-9-16(21)10-8-15/h3-10H,11-13H2,1-2H3,(H,22,24)
InChIKeyOMRLNMIYBANLSH-UHFFFAOYSA-N
XLogP3.53
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
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-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 110768837
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 110789127
2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110768844
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide
CID 113085569
2-(2,4-dimethylquinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 27256543
2-(1-methyl-3-methylsulfanylindol-2-yl)-N-(2-phenylethyl)acetamide
CID 674273
N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide
CID 154775706
N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 110768882
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 113211396) is 2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is Cc1c(CC(=O)NCCc2ccc(F)cc2)c2ccccc2n1C.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is OMRLNMIYBANLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-14-18(17-5-3-4-6-19(17)23(14)2)13-20(24)22-12-11-15-7-9-16(21)10-8-15/h3-10H,11-13H2,1-2H3,(H,22,24).
What are the key properties of 2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 324.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 113211396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).