2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide

C21H22ClN3O2 — CID 51163488

IUPAC2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C21H22ClN3O2/c1-13(16-7-3-5-9-18(16)22)24-21(27)20(25-14(2)26)11-15-12-23-19-10-6-4-8-17(15)19/h3-10,12-13,20,23H,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyHAGLIPWFOIMBCU-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.75
Rot. Bonds6

About 2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide

2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 51163488) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
PubChem CID51163488
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C21H22ClN3O2/c1-13(16-7-3-5-9-18(16)22)24-21(27)20(25-14(2)26)11-15-12-23-19-10-6-4-8-17(15)19/h3-10,12-13,20,23H,11H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyHAGLIPWFOIMBCU-UHFFFAOYSA-N
XLogP3.75
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 51164456
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-acetamido-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 78878483
N-[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]ethyl]-2-chlorobenzamide
CID 46442024
2-acetamido-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(1H-indol-3-yl)propanamide
CID 42910705
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
CID 71396240
2-acetamido-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 23276981
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
N-[1-(2-acetylhydrazinyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 43011742
(2S)-2-acetamido-N-[(2,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 35806397
S-propyl (2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]propanethioate
CID 132918986

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide (CID 51163488) is 2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C)c1ccccc1Cl.
What is the InChIKey of 2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is HAGLIPWFOIMBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-13(16-7-3-5-9-18(16)22)24-21(27)20(25-14(2)26)11-15-12-23-19-10-6-4-8-17(15)19/h3-10,12-13,20,23H,11H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 383.88 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(2-chlorophenyl)ethyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 51163488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).