2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide

C11H15F2N3O — CID 103249006

IUPAC2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide
SMILESNC(=O)C(N)CNCCc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2N3O/c12-8-3-7(4-9(13)5-8)1-2-16-6-10(14)11(15)17/h3-5,10,16H,1-2,6,14H2,(H2,15,17)
InChIKeyLAQMRQAZNCVQEA-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.09
Rot. Bonds6

About 2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide

2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide (PubChem CID 103249006) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide.

Molecular Properties

Compound Name2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide
PubChem CID103249006
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide
SMILESNC(=O)C(N)CNCCc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2N3O/c12-8-3-7(4-9(13)5-8)1-2-16-6-10(14)11(15)17/h3-5,10,16H,1-2,6,14H2,(H2,15,17)
InChIKeyLAQMRQAZNCVQEA-UHFFFAOYSA-N
XLogP-0.09
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-[2-(3,5-difluorophenyl)ethylamino]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

3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 62605689
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 103247068
2-amino-3-[2-(4-fluoro-2-methylphenyl)ethylamino]propanamide
CID 103257000
2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 103248005
2-amino-N-[2-(3,5-difluorophenyl)ethyl]butanediamide
CID 55093625
(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
CID 104903415
2-[2-(3,5-difluorophenyl)ethylamino]ethanol
CID 62603879
(2S)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 62614363
3-[2-(3,5-difluorophenyl)ethylamino]-2-methylpropanenitrile
CID 62615603
3-amino-4-[2-(3-fluorophenyl)ethylamino]butanoic acid
CID 115241834
2-[2-(3,5-difluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 62616475
2-amino-3-[2-(carbamoylamino)ethylamino]propanamide
CID 103262445

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide?
The IUPAC name of 2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide (CID 103249006) is 2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide.
What is the SMILES notation for 2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide?
The canonical SMILES for 2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide is NC(=O)C(N)CNCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide?
The InChIKey is LAQMRQAZNCVQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c12-8-3-7(4-9(13)5-8)1-2-16-6-10(14)11(15)17/h3-5,10,16H,1-2,6,14H2,(H2,15,17).
What are the key properties of 2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide?
2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide has a molecular weight of 243.26 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide is sourced from PubChem (CID 103249006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).