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

C9H11F2N3O — CID 110479002

IUPAC3-amino-N-(2-amino-3,4-difluorophenyl)propanamide
SMILESNCCC(=O)Nc1ccc(F)c(F)c1N
InChIInChI=1S/C9H11F2N3O/c10-5-1-2-6(9(13)8(5)11)14-7(15)3-4-12/h1-2H,3-4,12-13H2,(H,14,15)
InChIKeyVAVLLVXUGUTQGZ-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.83
Rot. Bonds3

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

3-amino-N-(2-amino-3,4-difluorophenyl)propanamide (PubChem CID 110479002) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-amino-N-(2-amino-3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-amino-3,4-difluorophenyl)propanamide
PubChem CID110479002
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name3-amino-N-(2-amino-3,4-difluorophenyl)propanamide
SMILESNCCC(=O)Nc1ccc(F)c(F)c1N
InChIInChI=1S/C9H11F2N3O/c10-5-1-2-6(9(13)8(5)11)14-7(15)3-4-12/h1-2H,3-4,12-13H2,(H,14,15)
InChIKeyVAVLLVXUGUTQGZ-UHFFFAOYSA-N
XLogP0.83
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2-amino-3,4-difluorophenyl)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

N-(2-amino-3,4-difluorophenyl)-2,2,2-trifluoroacetamide
CID 110481225
3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
5-bromo-N-(2,3,4-trifluorophenyl)pentanamide
CID 103601724
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide
CID 92944450
2-(3-aminopropanoylamino)benzamide
CID 22692052
3-amino-N-(2,3-dihydroxyphenyl)propanamide
CID 91188626
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
2-(3-aminopropanoylamino)-4-fluorobenzoic acid
CID 61157930
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 82034298
N-phenyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109033887

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-3,4-difluorophenyl)propanamide?
The IUPAC name of 3-amino-N-(2-amino-3,4-difluorophenyl)propanamide (CID 110479002) is 3-amino-N-(2-amino-3,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-amino-3,4-difluorophenyl)propanamide?
The canonical SMILES for 3-amino-N-(2-amino-3,4-difluorophenyl)propanamide is NCCC(=O)Nc1ccc(F)c(F)c1N.
What is the InChIKey of 3-amino-N-(2-amino-3,4-difluorophenyl)propanamide?
The InChIKey is VAVLLVXUGUTQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-5-1-2-6(9(13)8(5)11)14-7(15)3-4-12/h1-2H,3-4,12-13H2,(H,14,15).
What are the key properties of 3-amino-N-(2-amino-3,4-difluorophenyl)propanamide?
3-amino-N-(2-amino-3,4-difluorophenyl)propanamide has a molecular weight of 215.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-3,4-difluorophenyl)propanamide is sourced from PubChem (CID 110479002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).