2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide

C15H16FN3O — CID 110483797

IUPAC2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide
SMILESNc1ccc(F)cc1NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H16FN3O/c16-11-6-7-12(17)14(9-11)19-15(20)13(18)8-10-4-2-1-3-5-10/h1-7,9,13H,8,17-18H2,(H,19,20)
InChIKeyXRXJWSNMRYTWCO-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.92
Rot. Bonds4

About 2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide

2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide (PubChem CID 110483797) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide
PubChem CID110483797
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide
SMILESNc1ccc(F)cc1NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H16FN3O/c16-11-6-7-12(17)14(9-11)19-15(20)13(18)8-10-4-2-1-3-5-10/h1-7,9,13H,8,17-18H2,(H,19,20)
InChIKeyXRXJWSNMRYTWCO-UHFFFAOYSA-N
XLogP1.92
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
(2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide
CID 82682946
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
2-amino-N-(3,5-difluorophenyl)-3-phenylpropanamide
CID 24703610
(2S)-2-amino-N-(2,5-difluoro-4-methylphenyl)-3-phenylpropanamide
CID 103586069
(2R)-2-amino-N-(2-chloro-5-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 107528596
N-(2-amino-5-fluorophenyl)-2-methylpropanamide
CID 63257469
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)-3-phenylpropanamide
CID 83072762
(2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide
CID 107365994
(2S)-2-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 104877710
2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide
CID 107574453

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide (CID 110483797) is 2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide is Nc1ccc(F)cc1NC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide?
The InChIKey is XRXJWSNMRYTWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-11-6-7-12(17)14(9-11)19-15(20)13(18)8-10-4-2-1-3-5-10/h1-7,9,13H,8,17-18H2,(H,19,20).
What are the key properties of 2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide?
2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide has a molecular weight of 273.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 110483797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).