3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide

C15H23FN2O — CID 109021206

IUPAC3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCNCc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-12(2)7-10-18-15(19)8-9-17-11-13-3-5-14(16)6-4-13/h3-6,12,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyXDHKFUFGTGQQCS-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.47
Rot. Bonds8

About 3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide

3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide (PubChem CID 109021206) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide
PubChem CID109021206
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCNCc1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-12(2)7-10-18-15(19)8-9-17-11-13-3-5-14(16)6-4-13/h3-6,12,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyXDHKFUFGTGQQCS-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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

3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 109021164
N-[2-(4-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022421
N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023656
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852513
3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019416
N-[2,6-di(propan-2-yl)phenyl]-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021297
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(3-methylbutyl)propanamide
CID 113139337
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 108531969
N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
CID 68558290
3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023814
2-(4-fluorophenyl)-N-[2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110978082

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide (CID 109021206) is 3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCNCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide?
The InChIKey is XDHKFUFGTGQQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-12(2)7-10-18-15(19)8-9-17-11-13-3-5-14(16)6-4-13/h3-6,12,17H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide?
3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide has a molecular weight of 266.36 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 109021206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).