N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide

C16H23FN2O2 — CID 66322803

IUPACN-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide
SMILESNc1cc(NC(=O)CCCOCC2CCCC2)ccc1F
InChIInChI=1S/C16H23FN2O2/c17-14-8-7-13(10-15(14)18)19-16(20)6-3-9-21-11-12-4-1-2-5-12/h7-8,10,12H,1-6,9,11,18H2,(H,19,20)
InChIKeyGGEQPQMREFMGGU-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.33
Rot. Bonds7

About N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide

N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide (PubChem CID 66322803) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide
PubChem CID66322803
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide
SMILESNc1cc(NC(=O)CCCOCC2CCCC2)ccc1F
InChIInChI=1S/C16H23FN2O2/c17-14-8-7-13(10-15(14)18)19-16(20)6-3-9-21-11-12-4-1-2-5-12/h7-8,10,12H,1-6,9,11,18H2,(H,19,20)
InChIKeyGGEQPQMREFMGGU-UHFFFAOYSA-N
XLogP3.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide
CID 16787247
N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
CID 103805248
N-(3-amino-4-fluorophenyl)-3-(cyclopentylmethylsulfinyl)propanamide
CID 63119671
N-(5-amino-2-fluorophenyl)-3-(cyclopentylmethoxy)propanamide
CID 66322587
N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide
CID 28995439
N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide
CID 28995533
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560204
N-(4-aminophenyl)-4-(oxan-4-ylmethoxy)butanamide
CID 62383127
N-(3-amino-4-fluorophenyl)-4-(1-ethoxypropan-2-yloxy)butanamide
CID 103486787
N-(3-amino-4-fluorophenyl)-3-(oxetan-3-yloxy)propanamide
CID 102605608
N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide
CID 82955993

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide (CID 66322803) is N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide is Nc1cc(NC(=O)CCCOCC2CCCC2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide?
The InChIKey is GGEQPQMREFMGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-14-8-7-13(10-15(14)18)19-16(20)6-3-9-21-11-12-4-1-2-5-12/h7-8,10,12H,1-6,9,11,18H2,(H,19,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide?
N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide has a molecular weight of 294.37 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-4-(cyclopentylmethoxy)butanamide is sourced from PubChem (CID 66322803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).