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

C20H20Cl2N2O2 — CID 112844805

IUPACN-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C20H20Cl2N2O2/c1-12(26-2)20(25)24-11-16(14-8-7-13(21)9-18(14)22)17-10-23-19-6-4-3-5-15(17)19/h3-10,12,16,23H,11H2,1-2H3,(H,24,25)
InChIKeyZBUUNJZGUCDXFI-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.76
Rot. Bonds6

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

N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide (PubChem CID 112844805) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide
PubChem CID112844805
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC NameN-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide
SMILESCOC(C)C(=O)NCC(c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C20H20Cl2N2O2/c1-12(26-2)20(25)24-11-16(14-8-7-13(21)9-18(14)22)17-10-23-19-6-4-3-5-15(17)19/h3-10,12,16,23H,11H2,1-2H3,(H,24,25)
InChIKeyZBUUNJZGUCDXFI-UHFFFAOYSA-N
XLogP4.76
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.76
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-ethoxypropanamide
CID 112823599
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]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
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 112844509
(2S)-2-acetamido-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-methylbutanamide
CID 7910791
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide (CID 112844805) is N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide is COC(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-methoxypropanamide?
The InChIKey is ZBUUNJZGUCDXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-12(26-2)20(25)24-11-16(14-8-7-13(21)9-18(14)22)17-10-23-19-6-4-3-5-15(17)19/h3-10,12,16,23H,11H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide?
N-[2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methoxypropanamide has a molecular weight of 391.30 g/mol, XLogP of 4.76, 6 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-methoxypropanamide is sourced from PubChem (CID 112844805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).