2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide

C14H21FN2O3 — CID 119302610

IUPAC2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(OCCOC)c(F)c1
InChIInChI=1S/C14H21FN2O3/c1-3-4-12(16)14(18)17-10-5-6-13(11(15)9-10)20-8-7-19-2/h5-6,9,12H,3-4,7-8,16H2,1-2H3,(H,17,18)
InChIKeyWQUALRGIJBBHEM-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.92
Rot. Bonds8

About 2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide

2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide (PubChem CID 119302610) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide
PubChem CID119302610
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(OCCOC)c(F)c1
InChIInChI=1S/C14H21FN2O3/c1-3-4-12(16)14(18)17-10-5-6-13(11(15)9-10)20-8-7-19-2/h5-6,9,12H,3-4,7-8,16H2,1-2H3,(H,17,18)
InChIKeyWQUALRGIJBBHEM-UHFFFAOYSA-N
XLogP1.92
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119298223
2-amino-N-[4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119289402
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119
2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide
CID 119290626
2-amino-N-(3,4,5-trifluorophenyl)pentanamide
CID 62814039
N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide
CID 60574223
(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide
CID 107568802
2-amino-N-(3,5-difluoro-4-methoxyphenyl)pentanamide;hydrochloride
CID 119290625
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide
CID 62474462
1-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]cyclopropane-1-carboxamide
CID 119747542

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide?
The IUPAC name of 2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide (CID 119302610) is 2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide is CCCC(N)C(=O)Nc1ccc(OCCOC)c(F)c1.
What is the InChIKey of 2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide?
The InChIKey is WQUALRGIJBBHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-3-4-12(16)14(18)17-10-5-6-13(11(15)9-10)20-8-7-19-2/h5-6,9,12H,3-4,7-8,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide?
2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide has a molecular weight of 284.33 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]pentanamide is sourced from PubChem (CID 119302610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).