2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide

C21H20FN3O — CID 42655242

IUPAC2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2ccc(F)cc21
InChIInChI=1S/C21H20FN3O/c1-14(10-16-12-23-19-5-3-2-4-18(16)19)24-21(26)13-25-9-8-15-6-7-17(22)11-20(15)25/h2-9,11-12,14,23H,10,13H2,1H3,(H,24,26)
InChIKeyBCYNOMBKZHWJEE-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.01
Rot. Bonds5

About 2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide

2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide (PubChem CID 42655242) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
PubChem CID42655242
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2ccc(F)cc21
InChIInChI=1S/C21H20FN3O/c1-14(10-16-12-23-19-5-3-2-4-18(16)19)24-21(26)13-25-9-8-15-6-7-17(22)11-20(15)25/h2-9,11-12,14,23H,10,13H2,1H3,(H,24,26)
InChIKeyBCYNOMBKZHWJEE-UHFFFAOYSA-N
XLogP4.01
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide
CID 29147453
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431
N-benzyl-2-(6-fluoroindol-1-yl)acetamide
CID 116619757
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide
CID 138693223
sodium 3-[2-(3-sulfosulfanylpropanoylamino)propyl]-1H-indole
CID 126465875
1-(6-fluoroindol-1-yl)-3-phenylpropan-2-one
CID 62023949
N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51150393

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide (CID 42655242) is 2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide is CC(Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide?
The InChIKey is BCYNOMBKZHWJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14(10-16-12-23-19-5-3-2-4-18(16)19)24-21(26)13-25-9-8-15-6-7-17(22)11-20(15)25/h2-9,11-12,14,23H,10,13H2,1H3,(H,24,26).
What are the key properties of 2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide?
2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide has a molecular weight of 349.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 42655242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).