N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide

C15H14F2N2O2 — CID 43554689

IUPACN-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)Nc1ccccc1N
InChIInChI=1S/C15H14F2N2O2/c1-9(21-10-6-7-11(16)12(17)8-10)15(20)19-14-5-3-2-4-13(14)18/h2-9H,18H2,1H3,(H,19,20)
InChIKeyDHTRDBITKDFALZ-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.95
Rot. Bonds4

About N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide

N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide (PubChem CID 43554689) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide
PubChem CID43554689
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC NameN-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)c(F)c1)C(=O)Nc1ccccc1N
InChIInChI=1S/C15H14F2N2O2/c1-9(21-10-6-7-11(16)12(17)8-10)15(20)19-14-5-3-2-4-13(14)18/h2-9H,18H2,1H3,(H,19,20)
InChIKeyDHTRDBITKDFALZ-UHFFFAOYSA-N
XLogP2.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-aminophenyl)-2-(3-bromo-4-fluorophenoxy)propanamide
CID 83233140
2-(3,4-difluorophenoxy)-N-phenylpropanamide
CID 42982598
N-(2-aminophenyl)-2-(2,5-difluorophenoxy)propanamide
CID 63269106
N-(2-amino-4-fluorophenyl)-2-phenoxypropanamide
CID 16789399
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578082
(2S)-2-(3,4-difluorophenoxy)-N-(7-hydroxynaphthalen-1-yl)propanamide
CID 97238178
N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
CID 16784463
N-(2-bromo-4-methylphenyl)-2-(3,4-difluorophenoxy)propanamide
CID 55424008
(2S)-N-(3,4-difluorophenyl)-2-phenoxypropanamide
CID 670052
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931375
[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
CID 167409598

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide?
The IUPAC name of N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide (CID 43554689) is N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide?
The canonical SMILES for N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide is CC(Oc1ccc(F)c(F)c1)C(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide?
The InChIKey is DHTRDBITKDFALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-9(21-10-6-7-11(16)12(17)8-10)15(20)19-14-5-3-2-4-13(14)18/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide?
N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide has a molecular weight of 292.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(3,4-difluorophenoxy)propanamide is sourced from PubChem (CID 43554689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).