3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide

C20H24FN3O — CID 109020960

IUPAC3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCNCc1ccccc1F)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H24FN3O/c21-19-6-2-1-5-16(19)15-22-12-11-20(25)23-17-7-9-18(10-8-17)24-13-3-4-14-24/h1-2,5-10,22H,3-4,11-15H2,(H,23,25)
InChIKeyBZCJODMLTGFSEY-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.54
Rot. Bonds7

About 3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 109020960) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID109020960
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCNCc1ccccc1F)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H24FN3O/c21-19-6-2-1-5-16(19)15-22-12-11-20(25)23-17-7-9-18(10-8-17)24-13-3-4-14-24/h1-2,5-10,22H,3-4,11-15H2,(H,23,25)
InChIKeyBZCJODMLTGFSEY-UHFFFAOYSA-N
XLogP3.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 109020961
3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109019030
3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
CID 109020896
3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041778
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985263
N-[4-(diethylamino)phenyl]-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020959
3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109036225

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 109020960) is 3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide is O=C(CCNCc1ccccc1F)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is BZCJODMLTGFSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-19-6-2-1-5-16(19)15-22-12-11-20(25)23-17-7-9-18(10-8-17)24-13-3-4-14-24/h1-2,5-10,22H,3-4,11-15H2,(H,23,25).
What are the key properties of 3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 341.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 109020960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).