2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide

C16H25FN2O — CID 60720096

IUPAC2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NC(C)c1cccc(F)c1
InChIInChI=1S/C16H25FN2O/c1-4-5-6-10-18-16(20)13(3)19-12(2)14-8-7-9-15(17)11-14/h7-9,11-13,19H,4-6,10H2,1-3H3,(H,18,20)
InChIKeyMAMJZRVCNQBNEY-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.17
Rot. Bonds8

About 2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide

2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide (PubChem CID 60720096) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide
PubChem CID60720096
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NC(C)c1cccc(F)c1
InChIInChI=1S/C16H25FN2O/c1-4-5-6-10-18-16(20)13(3)19-12(2)14-8-7-9-15(17)11-14/h7-9,11-13,19H,4-6,10H2,1-3H3,(H,18,20)
InChIKeyMAMJZRVCNQBNEY-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.17
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

2-[[(1S)-1-(3-methylphenyl)ethyl]amino]-N-pentylpropanamide
CID 81361574
2-[(3-fluorophenyl)methylamino]-N-pentylpropanamide
CID 43123289
N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696
2-[1-(3-fluorophenyl)ethylamino]propanamide
CID 43400981
2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide
CID 62048218
N-ethyl-2-[1-(3-fluorophenyl)ethylamino]-N-methylpropanamide
CID 103106950
2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226787
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]pentanoic acid
CID 83041436
N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361243
2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide
CID 113382018
5-[2-(3-fluorophenyl)propanoylamino]pentanoic acid
CID 119235220
(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide?
The IUPAC name of 2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide (CID 60720096) is 2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide.
What is the SMILES notation for 2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide?
The canonical SMILES for 2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide is CCCCCNC(=O)C(C)NC(C)c1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide?
The InChIKey is MAMJZRVCNQBNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-5-6-10-18-16(20)13(3)19-12(2)14-8-7-9-15(17)11-14/h7-9,11-13,19H,4-6,10H2,1-3H3,(H,18,20).
What are the key properties of 2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide?
2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide has a molecular weight of 280.39 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide is sourced from PubChem (CID 60720096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).