2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide

C16H19ClN2O2 — CID 3066803

IUPAC2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide
SMILESCc1cc(OC(C)C(=O)Nn2c(C)ccc2C)ccc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-10-9-14(7-8-15(10)17)21-13(4)16(20)18-19-11(2)5-6-12(19)3/h5-9,13H,1-4H3,(H,18,20)
InChIKeyJPUSISGQAIFBGY-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.60
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide

2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide (PubChem CID 3066803) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide
PubChem CID3066803
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide
SMILESCc1cc(OC(C)C(=O)Nn2c(C)ccc2C)ccc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-10-9-14(7-8-15(10)17)21-13(4)16(20)18-19-11(2)5-6-12(19)3/h5-9,13H,1-4H3,(H,18,20)
InChIKeyJPUSISGQAIFBGY-UHFFFAOYSA-N
XLogP3.60
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide (CID 3066803) is 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide is Cc1cc(OC(C)C(=O)Nn2c(C)ccc2C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide?
The InChIKey is JPUSISGQAIFBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-10-9-14(7-8-15(10)17)21-13(4)16(20)18-19-11(2)5-6-12(19)3/h5-9,13H,1-4H3,(H,18,20).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide?
2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide has a molecular weight of 306.79 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)propanamide is sourced from PubChem (CID 3066803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).