3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide

C17H21FN2O — CID 110688951

IUPAC3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCc1ccc(C)n1CCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H21FN2O/c1-13-3-4-14(2)20(13)12-10-17(21)19-11-9-15-5-7-16(18)8-6-15/h3-8H,9-12H2,1-2H3,(H,19,21)
InChIKeyZKZBHQUZRACKFR-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.99
Rot. Bonds6

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

3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 110688951) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID110688951
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESCc1ccc(C)n1CCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C17H21FN2O/c1-13-3-4-14(2)20(13)12-10-17(21)19-11-9-15-5-7-16(18)8-6-15/h3-8H,9-12H2,1-2H3,(H,19,21)
InChIKeyZKZBHQUZRACKFR-UHFFFAOYSA-N
XLogP2.99
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide 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

3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 110688954
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860
N-[2-(4-fluorophenyl)ethyl]-3-(2,4,6-trimethylanilino)propanamide
CID 109024994
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2712696
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
N-[2-(4-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119675755
N-[2-(4-fluorophenyl)ethyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109024942
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121
N-[2-(4-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 60648420

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 110688951) is 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide is Cc1ccc(C)n1CCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is ZKZBHQUZRACKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-13-3-4-14(2)20(13)12-10-17(21)19-11-9-15-5-7-16(18)8-6-15/h3-8H,9-12H2,1-2H3,(H,19,21).
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 288.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 110688951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).