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

C17H21ClN2O2 — CID 3079067

IUPAC2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide
SMILESCc1cc(OC(C)(C)C(=O)Nn2c(C)ccc2C)ccc1Cl
InChIInChI=1S/C17H21ClN2O2/c1-11-10-14(8-9-15(11)18)22-17(4,5)16(21)19-20-12(2)6-7-13(20)3/h6-10H,1-5H3,(H,19,21)
InChIKeyZGUPHRLVJPGVAV-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.99
Rot. Bonds4

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

2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide (PubChem CID 3079067) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide
PubChem CID3079067
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide
SMILESCc1cc(OC(C)(C)C(=O)Nn2c(C)ccc2C)ccc1Cl
InChIInChI=1S/C17H21ClN2O2/c1-11-10-14(8-9-15(11)18)22-17(4,5)16(21)19-20-12(2)6-7-13(20)3/h6-10H,1-5H3,(H,19,21)
InChIKeyZGUPHRLVJPGVAV-UHFFFAOYSA-N
XLogP3.99
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.99
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)-2-methylpropanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide (CID 3079067) is 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide is Cc1cc(OC(C)(C)C(=O)Nn2c(C)ccc2C)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide?
The InChIKey is ZGUPHRLVJPGVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-11-10-14(8-9-15(11)18)22-17(4,5)16(21)19-20-12(2)6-7-13(20)3/h6-10H,1-5H3,(H,19,21).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide?
2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide has a molecular weight of 320.82 g/mol, XLogP of 3.99, 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)-2-methylpropanamide is sourced from PubChem (CID 3079067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).