1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone

C19H19FN2O2 — CID 2313814

IUPAC1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone
SMILESCc1cc(C(=O)CNCc2ccco2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-10-18(19(23)12-21-11-17-4-3-9-24-17)14(2)22(13)16-7-5-15(20)6-8-16/h3-10,21H,11-12H2,1-2H3
InChIKeyLLEXZMRWPGTEDK-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.80
Rot. Bonds6

About 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone

1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone (PubChem CID 2313814) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone
PubChem CID2313814
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone
SMILESCc1cc(C(=O)CNCc2ccco2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-10-18(19(23)12-21-11-17-4-3-9-24-17)14(2)22(13)16-7-5-15(20)6-8-16/h3-10,21H,11-12H2,1-2H3
InChIKeyLLEXZMRWPGTEDK-UHFFFAOYSA-N
XLogP3.80
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone 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

2-chloro-1-(1-((furan-2-yl)methyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one
CID 1537038
1-((furan-2-yl)methyl)-2,5-dimethyl-1H-pyrrole
CID 2378281
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-amine hydrochloride
CID 2770995
[2-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(carbamoylamino)propanoate
CID 3569398
8-Ethoxy-2-furan-2-ylmethyl-1,3-dimethyl-2H-cyclohepta[c]pyrrol-4-one
CID 672059
(5Z)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-3-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1616902
2-(3-acetyl-2-methyl-1H-indol-1-yl)-N-(2-furylmethyl)acetamide
CID 2227057
1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 2414080
3-[1-(2-Furanylmethyl)-5-phenyl-2-pyrrolyl]propanoic acid
CID 655989
2-Cyano-3-(2,5-dimethyl-1H-pyrrol-3-yl)-N-furan-2-ylmethyl-acrylamide
CID 787858
5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-3-(2-furylmethyl)-2-thioxo-1,3-thiazolidin-4-one
CID 1310185
4-(4-fluorobenzoyl)-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide
CID 1485172

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone?
The IUPAC name of 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone (CID 2313814) is 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone?
The canonical SMILES for 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone is Cc1cc(C(=O)CNCc2ccco2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone?
The InChIKey is LLEXZMRWPGTEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13-10-18(19(23)12-21-11-17-4-3-9-24-17)14(2)22(13)16-7-5-15(20)6-8-16/h3-10,21H,11-12H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone?
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone has a molecular weight of 326.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone is sourced from PubChem (CID 2313814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).