2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide

C18H16Cl2N2O2 — CID 71230421

IUPAC2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C18H16Cl2N2O2/c1-11(24-17-7-6-13(19)9-15(17)20)18(23)21-10-14-8-12-4-2-3-5-16(12)22-14/h2-9,11,22H,10H2,1H3,(H,21,23)
InChIKeyVEABQGOOVLORQN-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.56
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide

2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide (PubChem CID 71230421) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide
PubChem CID71230421
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C18H16Cl2N2O2/c1-11(24-17-7-6-13(19)9-15(17)20)18(23)21-10-14-8-12-4-2-3-5-16(12)22-14/h2-9,11,22H,10H2,1H3,(H,21,23)
InChIKeyVEABQGOOVLORQN-UHFFFAOYSA-N
XLogP4.56
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide (CID 71230421) is 2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1cc2ccccc2[nH]1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide?
The InChIKey is VEABQGOOVLORQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-11(24-17-7-6-13(19)9-15(17)20)18(23)21-10-14-8-12-4-2-3-5-16(12)22-14/h2-9,11,22H,10H2,1H3,(H,21,23).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide?
2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide has a molecular weight of 363.24 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-(1H-indol-2-ylmethyl)propanamide is sourced from PubChem (CID 71230421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).