2-(2,4-dichlorophenoxy)-N-[(1-methylindol-5-yl)methyl]propanamide

C19H18Cl2N2O2 — CID 71230102

IUPAC2-(2,4-dichlorophenoxy)-N-[(1-methylindol-5-yl)methyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(ccn2C)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-12(25-18-6-4-15(20)10-16(18)21)19(24)22-11-13-3-5-17-14(9-13)7-8-23(17)2/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyBUILWNSJJWCOGS-UHFFFAOYSA-N
MW377.27 g/mol
LogP4.57
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[(1-methylindol-5-yl)methyl]propanamide

2-(2,4-dichlorophenoxy)-N-[(1-methylindol-5-yl)methyl]propanamide (PubChem CID 71230102) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(1-methylindol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(1-methylindol-5-yl)methyl]propanamide
PubChem CID71230102
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(1-methylindol-5-yl)methyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(ccn2C)c1
InChIInChI=1S/C19H18Cl2N2O2/c1-12(25-18-6-4-15(20)10-16(18)21)19(24)22-11-13-3-5-17-14(9-13)7-8-23(17)2/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyBUILWNSJJWCOGS-UHFFFAOYSA-N
XLogP4.57
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(1-methylindol-5-yl)methyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(1-methylindol-5-yl)methyl]propanamide (CID 71230102) is 2-(2,4-dichlorophenoxy)-N-[(1-methylindol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(1-methylindol-5-yl)methyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(1-methylindol-5-yl)methyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(ccn2C)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(1-methylindol-5-yl)methyl]propanamide?
The InChIKey is BUILWNSJJWCOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-12(25-18-6-4-15(20)10-16(18)21)19(24)22-11-13-3-5-17-14(9-13)7-8-23(17)2/h3-10,12H,11H2,1-2H3,(H,22,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(1-methylindol-5-yl)methyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[(1-methylindol-5-yl)methyl]propanamide has a molecular weight of 377.27 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(1-methylindol-5-yl)methyl]propanamide is sourced from PubChem (CID 71230102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).