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

C20H19F2N3O2 — CID 113181426

IUPAC2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1c[nH]c2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C20H19F2N3O2/c1-13(26)25(20-16(21)6-4-7-17(20)22)12-19(27)23-10-9-14-11-24-18-8-3-2-5-15(14)18/h2-8,11,24H,9-10,12H2,1H3,(H,23,27)
InChIKeyFAXOKTLDNGEYOB-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.16
Rot. Bonds6

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

2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 113181426) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID113181426
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCc1c[nH]c2ccccc12)c1c(F)cccc1F
InChIInChI=1S/C20H19F2N3O2/c1-13(26)25(20-16(21)6-4-7-17(20)22)12-19(27)23-10-9-14-11-24-18-8-3-2-5-15(14)18/h2-8,11,24H,9-10,12H2,1H3,(H,23,27)
InChIKeyFAXOKTLDNGEYOB-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

N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113064521
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113171880
2-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113171713
2-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113173158
2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113181072
2-[acetyl(cyclopropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113158350
2-(N-acetyl-4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113173902
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002455
N'-[(2-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108531516
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113163074

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 113181426) is 2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide is CC(=O)N(CC(=O)NCCc1c[nH]c2ccccc12)c1c(F)cccc1F.
What is the InChIKey of 2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is FAXOKTLDNGEYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-13(26)25(20-16(21)6-4-7-17(20)22)12-19(27)23-10-9-14-11-24-18-8-3-2-5-15(14)18/h2-8,11,24H,9-10,12H2,1H3,(H,23,27).
What are the key properties of 2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]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 2-(N-acetyl-2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 113181426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).