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

C18H21FN2O2 — CID 3787733

IUPACN,N-diethyl-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C
InChIInChI=1S/C18H21FN2O2/c1-5-20(6-2)18(23)17(22)16-11-12(3)21(13(16)4)15-9-7-14(19)8-10-15/h7-11H,5-6H2,1-4H3
InChIKeyAUYASTSHOKDASZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.28
Rot. Bonds5

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

N,N-diethyl-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide (PubChem CID 3787733) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N,N-diethyl-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide
PubChem CID3787733
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN,N-diethyl-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C
InChIInChI=1S/C18H21FN2O2/c1-5-20(6-2)18(23)17(22)16-11-12(3)21(13(16)4)15-9-7-14(19)8-10-15/h7-11H,5-6H2,1-4H3
InChIKeyAUYASTSHOKDASZ-UHFFFAOYSA-N
XLogP3.28
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-(4-Fluorophenyl)-2,5-dimethylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone
CID 675434
1-(2-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 7802604
Cym-5520
CID 25110470
1-[2-[2,5-Dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 2113511
1-benzyl-2-ethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CID 11128828
2-[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 3303914
N,N-dibutyl-2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide
CID 50994131
N,N-dihexyl-2-(1-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide
CID 50994132
3-[2-(2,5-Dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2109652
N-(2-acetamidoethyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 2468420
1-(1,2-Dimethylindol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 7087183
1-[4-Acetyl-1-[4-(diethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 658866

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide?
The IUPAC name of N,N-diethyl-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide (CID 3787733) is N,N-diethyl-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N,N-diethyl-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide?
The canonical SMILES for N,N-diethyl-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide is CCN(CC)C(=O)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C.
What is the InChIKey of N,N-diethyl-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide?
The InChIKey is AUYASTSHOKDASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-5-20(6-2)18(23)17(22)16-11-12(3)21(13(16)4)15-9-7-14(19)8-10-15/h7-11H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide?
N,N-diethyl-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide has a molecular weight of 316.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 3787733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).