[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate

C21H21ClN2O3 — CID 55418939

IUPAC[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
SMILESCC(OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H21ClN2O3/c1-14(21(26)24-13-16-6-2-4-8-18(16)22)27-20(25)11-10-15-12-23-19-9-5-3-7-17(15)19/h2-9,12,14,23H,10-11,13H2,1H3,(H,24,26)
InChIKeyBDKRFYFLWJNULO-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.00
Rot. Bonds7

About [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate

[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate (PubChem CID 55418939) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
PubChem CID55418939
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
SMILESCC(OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C21H21ClN2O3/c1-14(21(26)24-13-16-6-2-4-8-18(16)22)27-20(25)11-10-15-12-23-19-9-5-3-7-17(15)19/h2-9,12,14,23H,10-11,13H2,1H3,(H,24,26)
InChIKeyBDKRFYFLWJNULO-UHFFFAOYSA-N
XLogP4.00
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
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[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
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[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 42885407
[1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 18271241
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 7958610
2-(2,6-dichlorophenoxy)ethyl 3-(1H-indol-3-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate?
The IUPAC name of [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate (CID 55418939) is [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate is CC(OC(=O)CCc1c[nH]c2ccccc12)C(=O)NCc1ccccc1Cl.
What is the InChIKey of [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate?
The InChIKey is BDKRFYFLWJNULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-14(21(26)24-13-16-6-2-4-8-18(16)22)27-20(25)11-10-15-12-23-19-9-5-3-7-17(15)19/h2-9,12,14,23H,10-11,13H2,1H3,(H,24,26).
What are the key properties of [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate?
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate has a molecular weight of 384.86 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 55418939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).