N-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide

C16H20FN3O — CID 79109479

IUPACN-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
SMILESCCC(NC)c1ccn(CC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H20FN3O/c1-3-14(18-2)12-8-9-20(10-12)11-16(21)19-15-7-5-4-6-13(15)17/h4-10,14,18H,3,11H2,1-2H3,(H,19,21)
InChIKeyRORIUKVHLFGJPK-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.94
Rot. Bonds6

About N-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide

N-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide (PubChem CID 79109479) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
PubChem CID79109479
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide
SMILESCCC(NC)c1ccn(CC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H20FN3O/c1-3-14(18-2)12-8-9-20(10-12)11-16(21)19-15-7-5-4-6-13(15)17/h4-10,14,18H,3,11H2,1-2H3,(H,19,21)
InChIKeyRORIUKVHLFGJPK-UHFFFAOYSA-N
XLogP2.94
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide (CID 79109479) is N-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide is CCC(NC)c1ccn(CC(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide?
The InChIKey is RORIUKVHLFGJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-3-14(18-2)12-8-9-20(10-12)11-16(21)19-15-7-5-4-6-13(15)17/h4-10,14,18H,3,11H2,1-2H3,(H,19,21).
What are the key properties of N-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide?
N-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide has a molecular weight of 289.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 79109479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).