2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide

C14H15ClN2O — CID 3042745

IUPAC2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide
SMILESCc1cc(CC(N)=O)c(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O/c1-9-7-11(8-14(16)18)10(2)17(9)13-5-3-12(15)4-6-13/h3-7H,8H2,1-2H3,(H2,16,18)
InChIKeyDETSIWMXYXUXHO-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.78
Rot. Bonds3

About 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide

2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide (PubChem CID 3042745) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide
PubChem CID3042745
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide
SMILESCc1cc(CC(N)=O)c(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2O/c1-9-7-11(8-14(16)18)10(2)17(9)13-5-3-12(15)4-6-13/h3-7H,8H2,1-2H3,(H2,16,18)
InChIKeyDETSIWMXYXUXHO-UHFFFAOYSA-N
XLogP2.78
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide (CID 3042745) is 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide is Cc1cc(CC(N)=O)c(C)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide?
The InChIKey is DETSIWMXYXUXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-7-11(8-14(16)18)10(2)17(9)13-5-3-12(15)4-6-13/h3-7H,8H2,1-2H3,(H2,16,18).
What are the key properties of 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide?
2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide has a molecular weight of 262.74 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]acetamide is sourced from PubChem (CID 3042745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).