2-(4-chlorophenoxy)-2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide

C21H23ClN2O2 — CID 5087002

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide
SMILESCc1cc2ccccc2n1CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c1-15-14-16-6-4-5-7-19(16)24(15)13-12-23-20(25)21(2,3)26-18-10-8-17(22)9-11-18/h4-11,14H,12-13H2,1-3H3,(H,23,25)
InChIKeyYBMQCHYZJVDMQD-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.58
Rot. Bonds6

About 2-(4-chlorophenoxy)-2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide (PubChem CID 5087002) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide
PubChem CID5087002
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide
SMILESCc1cc2ccccc2n1CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c1-15-14-16-6-4-5-7-19(16)24(15)13-12-23-20(25)21(2,3)26-18-10-8-17(22)9-11-18/h4-11,14H,12-13H2,1-3H3,(H,23,25)
InChIKeyYBMQCHYZJVDMQD-UHFFFAOYSA-N
XLogP4.58
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide (CID 5087002) is 2-(4-chlorophenoxy)-2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide is Cc1cc2ccccc2n1CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide?
The InChIKey is YBMQCHYZJVDMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-15-14-16-6-4-5-7-19(16)24(15)13-12-23-20(25)21(2,3)26-18-10-8-17(22)9-11-18/h4-11,14H,12-13H2,1-3H3,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide has a molecular weight of 370.88 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide is sourced from PubChem (CID 5087002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).