2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide

C15H15FN2O — CID 106590704

IUPAC2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)c1cccc(N)c1
InChIInChI=1S/C15H15FN2O/c1-10(11-4-2-6-13(17)8-11)15(19)18-14-7-3-5-12(16)9-14/h2-10H,17H2,1H3,(H,18,19)
InChIKeyBSGVVEOBUJROCC-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.15
Rot. Bonds3

About 2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide

2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide (PubChem CID 106590704) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide
PubChem CID106590704
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(F)c1)c1cccc(N)c1
InChIInChI=1S/C15H15FN2O/c1-10(11-4-2-6-13(17)8-11)15(19)18-14-7-3-5-12(16)9-14/h2-10H,17H2,1H3,(H,18,19)
InChIKeyBSGVVEOBUJROCC-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
CID 106590701
2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 106590705
2-(3-aminophenyl)-N-(4-methoxyphenyl)propanamide
CID 106590702
(2R)-N-(3-fluorophenyl)-2-(4-nitrophenyl)propanamide
CID 894565
2-(3-aminophenyl)-N-(2-chloro-6-fluorophenyl)propanamide
CID 106591868
2-(3-aminophenyl)-N-(3-chloro-4-cyanophenyl)propanamide
CID 106590860
2-(3-aminophenyl)-N-(1,2-oxazol-3-yl)propanamide
CID 106591393
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
(2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide
CID 9445795
2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 106590698

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide (CID 106590704) is 2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide is CC(C(=O)Nc1cccc(F)c1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide?
The InChIKey is BSGVVEOBUJROCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10(11-4-2-6-13(17)8-11)15(19)18-14-7-3-5-12(16)9-14/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide?
2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide has a molecular weight of 258.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 106590704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).