N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide

C14H21FN2O3 — CID 103486661

IUPACN-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide
SMILESCCOCC(C)OC(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H21FN2O3/c1-4-19-8-9(2)20-10(3)14(18)17-13-7-11(16)5-6-12(13)15/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18)
InChIKeyPDVJEBQUJHPEOE-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.18
Rot. Bonds7

About N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide

N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide (PubChem CID 103486661) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide
PubChem CID103486661
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide
SMILESCCOCC(C)OC(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H21FN2O3/c1-4-19-8-9(2)20-10(3)14(18)17-13-7-11(16)5-6-12(13)15/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18)
InChIKeyPDVJEBQUJHPEOE-UHFFFAOYSA-N
XLogP2.18
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.18
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

N-(5-amino-2-fluorophenyl)-2-propoxypropanamide
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CID 82954224
N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide
CID 46735854
1-(3,4-difluorophenyl)-2-(1-ethoxypropan-2-yloxy)propan-1-one
CID 103489321
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CID 54943567
N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide
CID 62116142
N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide
CID 16778555
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784
N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide
CID 102980701
N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide
CID 43615880
N-(5-amino-2-fluorophenyl)-2-(2-methoxyethylsulfanyl)propanamide
CID 43382522

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide (CID 103486661) is N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide is CCOCC(C)OC(C)C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide?
The InChIKey is PDVJEBQUJHPEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-4-19-8-9(2)20-10(3)14(18)17-13-7-11(16)5-6-12(13)15/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide?
N-(5-amino-2-fluorophenyl)-2-(1-ethoxypropan-2-yloxy)propanamide has a molecular weight of 284.33 g/mol, XLogP of 2.18, 7 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-(1-ethoxypropan-2-yloxy)propanamide is sourced from PubChem (CID 103486661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).