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

C20H20FN3O2 — CID 113165241

IUPAC2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide
SMILESCC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H20FN3O2/c1-14(25)24(13-20(26)23-17-6-4-5-16(21)11-17)10-9-15-12-22-19-8-3-2-7-18(15)19/h2-8,11-12,22H,9-10,13H2,1H3,(H,23,26)
InChIKeyQYRLEJOUUFVIMZ-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.34
Rot. Bonds6

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

2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide (PubChem CID 113165241) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide
PubChem CID113165241
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide
SMILESCC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H20FN3O2/c1-14(25)24(13-20(26)23-17-6-4-5-16(21)11-17)10-9-15-12-22-19-8-3-2-7-18(15)19/h2-8,11-12,22H,9-10,13H2,1H3,(H,23,26)
InChIKeyQYRLEJOUUFVIMZ-UHFFFAOYSA-N
XLogP3.34
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide
CID 113121825
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113165218
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113165203
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 9439554
2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide
CID 113158063
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113165206
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
N-benzyl-2-[(3-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 5068445
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
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide (CID 113165241) is 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide is CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide?
The InChIKey is QYRLEJOUUFVIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14(25)24(13-20(26)23-17-6-4-5-16(21)11-17)10-9-15-12-22-19-8-3-2-7-18(15)19/h2-8,11-12,22H,9-10,13H2,1H3,(H,23,26).
What are the key properties of 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide?
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide has a molecular weight of 353.40 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113165241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).