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

C15H14F2N2O — CID 28714073

IUPAC3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide
SMILESNc1ccccc1CCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H14F2N2O/c16-11-6-7-14(12(17)9-11)19-15(20)8-5-10-3-1-2-4-13(10)18/h1-4,6-7,9H,5,8,18H2,(H,19,20)
InChIKeyKPIAXLOZARJTSC-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.12
Rot. Bonds4

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

3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide (PubChem CID 28714073) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide
PubChem CID28714073
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide
SMILESNc1ccccc1CCC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H14F2N2O/c16-11-6-7-14(12(17)9-11)19-15(20)8-5-10-3-1-2-4-13(10)18/h1-4,6-7,9H,5,8,18H2,(H,19,20)
InChIKeyKPIAXLOZARJTSC-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide
CID 43309199
3-(4-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28713220
N-(2,4-difluorophenyl)-3-(2-fluorophenoxy)propanamide
CID 51158552
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
3-(2-aminophenyl)-N-(3-chloro-5-fluorophenyl)propanamide
CID 107365916
3-(2-aminophenyl)-N-[1-(2,4-difluorophenyl)propyl]propanamide;hydrochloride
CID 120611087
2-(2-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 113098832
2-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272931
3-(2-aminophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]propanamide
CID 107272903
2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide
CID 62810482
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)butanediamide
CID 670678
3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
CID 107273233

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide (CID 28714073) is 3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide is Nc1ccccc1CCC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide?
The InChIKey is KPIAXLOZARJTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c16-11-6-7-14(12(17)9-11)19-15(20)8-5-10-3-1-2-4-13(10)18/h1-4,6-7,9H,5,8,18H2,(H,19,20).
What are the key properties of 3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide?
3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide has a molecular weight of 276.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 28714073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).