2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide

C15H23FN2O — CID 43123289

IUPAC2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NCc1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-3-4-5-9-17-15(19)12(2)18-11-13-7-6-8-14(16)10-13/h6-8,10,12,18H,3-5,9,11H2,1-2H3,(H,17,19)
InChIKeyWTDIYURHYOWQEF-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.61
Rot. Bonds8

About 2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide

2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide (PubChem CID 43123289) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide
PubChem CID43123289
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NCc1cccc(F)c1
InChIInChI=1S/C15H23FN2O/c1-3-4-5-9-17-15(19)12(2)18-11-13-7-6-8-14(16)10-13/h6-8,10,12,18H,3-5,9,11H2,1-2H3,(H,17,19)
InChIKeyWTDIYURHYOWQEF-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(3-fluorophenyl)methylamino]-N-methylpropanamide
CID 28970574
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide
CID 60720096
2-[(2-bromo-5-fluorophenyl)methylamino]-N-butylpropanamide
CID 54902468
N-[(3-fluorophenyl)methyl]-3-oxo-4-(propylamino)pentanamide
CID 166907403
1-[(3-fluorophenyl)methyl]-2-methyl-3-pentylguanidine;hydroiodide
CID 111128366
2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide
CID 43112541
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818
2-[2-(3-fluorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 43401436
2-[(3-chloro-5-fluorophenyl)methylamino]-N-propylpropanamide
CID 114452378
2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide
CID 104953387
1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115626138

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide?
The IUPAC name of 2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide (CID 43123289) is 2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide?
The canonical SMILES for 2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide is CCCCCNC(=O)C(C)NCc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide?
The InChIKey is WTDIYURHYOWQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-4-5-9-17-15(19)12(2)18-11-13-7-6-8-14(16)10-13/h6-8,10,12,18H,3-5,9,11H2,1-2H3,(H,17,19).
What are the key properties of 2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide?
2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide has a molecular weight of 266.36 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide is sourced from PubChem (CID 43123289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).