2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide

C25H32FN3O2 — CID 60622642

IUPAC2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
SMILESCCCCC(NC(=O)CCc1cccc(F)c1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C25H32FN3O2/c1-2-3-12-23(28-24(30)14-13-19-8-6-9-20(26)17-19)25(31)27-21-10-7-11-22(18-21)29-15-4-5-16-29/h6-11,17-18,23H,2-5,12-16H2,1H3,(H,27,31)(H,28,30)
InChIKeyWMZKISTWLQDHLL-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.67
Rot. Bonds10

About 2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide

2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide (PubChem CID 60622642) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
PubChem CID60622642
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
SMILESCCCCC(NC(=O)CCc1cccc(F)c1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C25H32FN3O2/c1-2-3-12-23(28-24(30)14-13-19-8-6-9-20(26)17-19)25(31)27-21-10-7-11-22(18-21)29-15-4-5-16-29/h6-11,17-18,23H,2-5,12-16H2,1H3,(H,27,31)(H,28,30)
InChIKeyWMZKISTWLQDHLL-UHFFFAOYSA-N
XLogP4.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide 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-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211
(2S)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 95766947
N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]piperidine-3-carboxamide;dihydrochloride
CID 119872938
6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide
CID 60622282
N-[3-oxo-3-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]propyl]cyclohexanecarboxamide
CID 86878307
4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
CID 60622222
3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
CID 47093383
2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 119107045
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
CID 119872864
2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide
CID 60622370
5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 104684218
3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110361627

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide?
The IUPAC name of 2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide (CID 60622642) is 2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide.
What is the SMILES notation for 2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide?
The canonical SMILES for 2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide is CCCCC(NC(=O)CCc1cccc(F)c1)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide?
The InChIKey is WMZKISTWLQDHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-2-3-12-23(28-24(30)14-13-19-8-6-9-20(26)17-19)25(31)27-21-10-7-11-22(18-21)29-15-4-5-16-29/h6-11,17-18,23H,2-5,12-16H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide?
2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide has a molecular weight of 425.55 g/mol, XLogP of 4.67, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide is sourced from PubChem (CID 60622642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).