3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide

C21H22FN3O2 — CID 113121825

IUPAC3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(F)c1)CCc1c[nH]c2ccccc12
InChIInChI=1S/C21H22FN3O2/c1-15(26)25(11-9-16-14-23-20-8-3-2-7-19(16)20)12-10-21(27)24-18-6-4-5-17(22)13-18/h2-8,13-14,23H,9-12H2,1H3,(H,24,27)
InChIKeyFMTRASJSOGFJDP-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.73
Rot. Bonds7

About 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide

3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide (PubChem CID 113121825) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide
PubChem CID113121825
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(F)c1)CCc1c[nH]c2ccccc12
InChIInChI=1S/C21H22FN3O2/c1-15(26)25(11-9-16-14-23-20-8-3-2-7-19(16)20)12-10-21(27)24-18-6-4-5-17(22)13-18/h2-8,13-14,23H,9-12H2,1H3,(H,24,27)
InChIKeyFMTRASJSOGFJDP-UHFFFAOYSA-N
XLogP3.73
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 113165241
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 9439554
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113165218
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113121754
N-benzyl-2-[(3-fluorophenyl)carbamoyl-propan-2-ylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42772229
2-[(3-fluorophenyl)carbamoyl-propan-2-ylamino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 5003466
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(3-methylphenyl)propanamide
CID 113120974
N-benzyl-2-[(3-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 5068445
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113165203

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide (CID 113121825) is 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(F)c1)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide?
The InChIKey is FMTRASJSOGFJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-15(26)25(11-9-16-14-23-20-8-3-2-7-19(16)20)12-10-21(27)24-18-6-4-5-17(22)13-18/h2-8,13-14,23H,9-12H2,1H3,(H,24,27).
What are the key properties of 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide?
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide has a molecular weight of 367.42 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 113121825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).