N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide

C15H21FN2O3 — CID 18070263

IUPACN-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCCO1)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H21FN2O3/c1-10(21-9-12-4-2-3-7-20-12)15(19)18-14-8-11(17)5-6-13(14)16/h5-6,8,10,12H,2-4,7,9,17H2,1H3,(H,18,19)
InChIKeyWCJHMIVJOVFQPD-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.32
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide

N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide (PubChem CID 18070263) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
PubChem CID18070263
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCCO1)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H21FN2O3/c1-10(21-9-12-4-2-3-7-20-12)15(19)18-14-8-11(17)5-6-13(14)16/h5-6,8,10,12H,2-4,7,9,17H2,1H3,(H,18,19)
InChIKeyWCJHMIVJOVFQPD-UHFFFAOYSA-N
XLogP2.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95286084
1-(3,4-difluorophenyl)-2-(oxan-2-ylmethoxy)propan-1-one
CID 43798954
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95325731
N-(2-amino-5-methoxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 119421308
N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
CID 43247874
(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 97003852
N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide
CID 62116142
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide
CID 120883116
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95325759
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
N-(5-amino-2-fluorophenyl)-2-butoxypropanamide
CID 43267510
N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 119548783

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide (CID 18070263) is N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide is CC(OCC1CCCCO1)C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide?
The InChIKey is WCJHMIVJOVFQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-10(21-9-12-4-2-3-7-20-12)15(19)18-14-8-11(17)5-6-13(14)16/h5-6,8,10,12H,2-4,7,9,17H2,1H3,(H,18,19).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide?
N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide has a molecular weight of 296.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide is sourced from PubChem (CID 18070263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).