N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide

C20H19F2N3O2 — CID 113064521

IUPACN-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1c[nH]c2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C20H19F2N3O2/c1-13(26)25(20-16(21)6-4-7-17(20)22)10-9-23-19(27)11-14-12-24-18-8-3-2-5-15(14)18/h2-8,12,24H,9-11H2,1H3,(H,23,27)
InChIKeyVGTGQFUGPJNCOB-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.16
Rot. Bonds6

About N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide

N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 113064521) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID113064521
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC NameN-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1c[nH]c2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C20H19F2N3O2/c1-13(26)25(20-16(21)6-4-7-17(20)22)10-9-23-19(27)11-14-12-24-18-8-3-2-5-15(14)18/h2-8,12,24H,9-11H2,1H3,(H,23,27)
InChIKeyVGTGQFUGPJNCOB-UHFFFAOYSA-N
XLogP3.16
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113181426
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113052669
N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
CID 47042094
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113055312
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 8743519
2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide
CID 113068448
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 2539049
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113053059
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113068984

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide (CID 113064521) is N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide is CC(=O)N(CCNC(=O)Cc1c[nH]c2ccccc12)c1c(F)cccc1F.
What is the InChIKey of N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is VGTGQFUGPJNCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-13(26)25(20-16(21)6-4-7-17(20)22)10-9-23-19(27)11-14-12-24-18-8-3-2-5-15(14)18/h2-8,12,24H,9-11H2,1H3,(H,23,27).
What are the key properties of N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 371.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113064521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).