3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide

C18H21FN2O2 — CID 120611352

IUPAC3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide
SMILESCC(CNC(=O)CCc1ccccc1N)Oc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2/c1-13(23-16-9-7-15(19)8-10-16)12-21-18(22)11-6-14-4-2-3-5-17(14)20/h2-5,7-10,13H,6,11-12,20H2,1H3,(H,21,22)
InChIKeyIRMHIEDUJBFTEZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.92
Rot. Bonds7

About 3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide

3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide (PubChem CID 120611352) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide
PubChem CID120611352
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide
SMILESCC(CNC(=O)CCc1ccccc1N)Oc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2/c1-13(23-16-9-7-15(19)8-10-16)12-21-18(22)11-6-14-4-2-3-5-17(14)20/h2-5,7-10,13H,6,11-12,20H2,1H3,(H,21,22)
InChIKeyIRMHIEDUJBFTEZ-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.92
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

3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 120610983
3-(2-aminophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]propanamide;dihydrochloride
CID 120612427
N-[2-(4-fluorophenoxy)propyl]-2-methoxyacetamide
CID 71994274
3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273267
3-(2-aminophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273266
4-[3-[2-(4-fluorophenoxy)propylamino]-3-oxopropyl]benzoic acid
CID 119186689
3-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propyl]propanamide
CID 110279623
methyl (2R)-4-[[(2S)-2-(4-fluorophenoxy)propyl]amino]-2-methyl-4-oxobutanoate
CID 96542660
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide
CID 120610293
3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide
CID 120611754
(2S)-3-[3-(2-aminophenyl)propanoylamino]-2-hydroxypropanoic acid
CID 107835782
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 120610292

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide (CID 120611352) is 3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide is CC(CNC(=O)CCc1ccccc1N)Oc1ccc(F)cc1.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide?
The InChIKey is IRMHIEDUJBFTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-13(23-16-9-7-15(19)8-10-16)12-21-18(22)11-6-14-4-2-3-5-17(14)20/h2-5,7-10,13H,6,11-12,20H2,1H3,(H,21,22).
What are the key properties of 3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide?
3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide has a molecular weight of 316.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide is sourced from PubChem (CID 120611352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).