N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide

C15H14F2N2O2 — CID 63268657

IUPACN-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide
SMILESNc1ccccc1NC(=O)CCOc1cc(F)ccc1F
InChIInChI=1S/C15H14F2N2O2/c16-10-5-6-11(17)14(9-10)21-8-7-15(20)19-13-4-2-1-3-12(13)18/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyPXCSIOZXQHMVDE-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.95
Rot. Bonds5

About N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide

N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide (PubChem CID 63268657) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide
PubChem CID63268657
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC NameN-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide
SMILESNc1ccccc1NC(=O)CCOc1cc(F)ccc1F
InChIInChI=1S/C15H14F2N2O2/c16-10-5-6-11(17)14(9-10)21-8-7-15(20)19-13-4-2-1-3-12(13)18/h1-6,9H,7-8,18H2,(H,19,20)
InChIKeyPXCSIOZXQHMVDE-UHFFFAOYSA-N
XLogP2.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.95
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

N-(2,4-difluorophenyl)-3-(2-fluorophenoxy)propanamide
CID 51158552
N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide
CID 43364213
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-(2-aminophenyl)-3-(4-chloro-3-fluorophenoxy)propanamide
CID 82717901
3-(2-aminophenoxy)-N-(3,5-difluorophenyl)propanamide
CID 61092470
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide
CID 63213428
N-(2-aminophenyl)-2-(2,5-difluorophenoxy)propanamide
CID 63269106
3-(4-fluorophenoxy)-N-(2-fluorophenyl)propanamide
CID 38765188
N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463
3-(2-fluorophenoxy)-N-(2-piperidin-1-ylphenyl)propanamide
CID 2449861
N-(2-amino-5-fluorophenyl)-2-(5-bromo-2-fluorophenoxy)acetamide
CID 114671905

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide (CID 63268657) is N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide is Nc1ccccc1NC(=O)CCOc1cc(F)ccc1F.
What is the InChIKey of N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide?
The InChIKey is PXCSIOZXQHMVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-10-5-6-11(17)14(9-10)21-8-7-15(20)19-13-4-2-1-3-12(13)18/h1-6,9H,7-8,18H2,(H,19,20).
What are the key properties of N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide?
N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide has a molecular weight of 292.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide is sourced from PubChem (CID 63268657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).