N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide

C21H22Cl2N2O2 — CID 112823599

IUPACN-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)NCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C21H22Cl2N2O2/c1-3-27-13(2)21(26)25-12-17(15-9-8-14(22)10-19(15)23)18-11-24-20-7-5-4-6-16(18)20/h4-11,13,17,24H,3,12H2,1-2H3,(H,25,26)
InChIKeyBHAMTMXMALMWMV-UHFFFAOYSA-N
MW405.33 g/mol
LogP5.15
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide

N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide (PubChem CID 112823599) has the molecular formula C21H22Cl2N2O2 and a molecular weight of 405.33 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide
PubChem CID112823599
Molecular FormulaC21H22Cl2N2O2
Molecular Weight405.33 g/mol
Exact Mass404.11
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)NCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C21H22Cl2N2O2/c1-3-27-13(2)21(26)25-12-17(15-9-8-14(22)10-19(15)23)18-11-24-20-7-5-4-6-16(18)20/h4-11,13,17,24H,3,12H2,1-2H3,(H,25,26)
InChIKeyBHAMTMXMALMWMV-UHFFFAOYSA-N
XLogP5.15
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.33
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide
CID 112844805
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 112793694
2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide
CID 18158757
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 112812774
(2S)-2-acetamido-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methylbutanamide
CID 7910791
2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 120984721
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 112793678
N-[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2489801
(1R)-2-[[(2R)-2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-1-phenylethanol
CID 2115092
3-[[[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]carbamoylamino]methyl]benzamide
CID 112818253
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 4878622
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 112807819

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide (CID 112823599) is N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide is CCOC(C)C(=O)NCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide?
The InChIKey is BHAMTMXMALMWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O2/c1-3-27-13(2)21(26)25-12-17(15-9-8-14(22)10-19(15)23)18-11-24-20-7-5-4-6-16(18)20/h4-11,13,17,24H,3,12H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide?
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide has a molecular weight of 405.33 g/mol, XLogP of 5.15, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-ethoxypropanamide is sourced from PubChem (CID 112823599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).