N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide

C15H21FN2O2 — CID 16787247

IUPACN-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide
SMILESNc1cc(NC(=O)CCOC2CCCCC2)ccc1F
InChIInChI=1S/C15H21FN2O2/c16-13-7-6-11(10-14(13)17)18-15(19)8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,17H2,(H,18,19)
InChIKeyOHQZSJRVDHQEEW-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.09
Rot. Bonds5

About N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide

N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide (PubChem CID 16787247) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide
PubChem CID16787247
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide
SMILESNc1cc(NC(=O)CCOC2CCCCC2)ccc1F
InChIInChI=1S/C15H21FN2O2/c16-13-7-6-11(10-14(13)17)18-15(19)8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,17H2,(H,18,19)
InChIKeyOHQZSJRVDHQEEW-UHFFFAOYSA-N
XLogP3.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
N-[4-(aminomethyl)phenyl]-3-cyclopentyloxypropanamide
CID 16788868
N-(3-amino-4-fluorophenyl)-3-(4-methylpentoxy)propanamide
CID 28995439
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide (CID 16787247) is N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide is Nc1cc(NC(=O)CCOC2CCCCC2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide?
The InChIKey is OHQZSJRVDHQEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-13-7-6-11(10-14(13)17)18-15(19)8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9,17H2,(H,18,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide?
N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide has a molecular weight of 280.34 g/mol, XLogP of 3.09, 5 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)-3-cyclohexyloxypropanamide is sourced from PubChem (CID 16787247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).