N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide

C20H16ClFN2O2 — CID 22515463

IUPACN-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide
SMILESCc1cc(C(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C20H16ClFN2O2/c1-12-10-18(13(2)24(12)17-8-6-15(22)7-9-17)19(25)20(26)23-16-5-3-4-14(21)11-16/h3-11H,1-2H3,(H,23,26)
InChIKeyIKJJTICDEUKBPC-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.71
Rot. Bonds4

About N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide

N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide (PubChem CID 22515463) has the molecular formula C20H16ClFN2O2 and a molecular weight of 370.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide
PubChem CID22515463
Molecular FormulaC20H16ClFN2O2
Molecular Weight370.81 g/mol
Exact Mass370.09
IUPAC NameN-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide
SMILESCc1cc(C(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C20H16ClFN2O2/c1-12-10-18(13(2)24(12)17-8-6-15(22)7-9-17)19(25)20(26)23-16-5-3-4-14(21)11-16/h3-11H,1-2H3,(H,23,26)
InChIKeyIKJJTICDEUKBPC-UHFFFAOYSA-N
XLogP4.71
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide (CID 22515463) is N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide is Cc1cc(C(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide?
The InChIKey is IKJJTICDEUKBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2/c1-12-10-18(13(2)24(12)17-8-6-15(22)7-9-17)19(25)20(26)23-16-5-3-4-14(21)11-16/h3-11H,1-2H3,(H,23,26).
What are the key properties of N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide?
N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide has a molecular weight of 370.81 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 22515463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).