3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide

C14H21F2N3O — CID 109017023

IUPAC3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCNc1c(F)cccc1F
InChIInChI=1S/C14H21F2N3O/c1-19(2)10-4-8-17-13(20)7-9-18-14-11(15)5-3-6-12(14)16/h3,5-6,18H,4,7-10H2,1-2H3,(H,17,20)
InChIKeyNHGFMFBSORNAEU-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.83
Rot. Bonds8

About 3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide

3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 109017023) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide
PubChem CID109017023
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide
SMILESCN(C)CCCNC(=O)CCNc1c(F)cccc1F
InChIInChI=1S/C14H21F2N3O/c1-19(2)10-4-8-17-13(20)7-9-18-14-11(15)5-3-6-12(14)16/h3,5-6,18H,4,7-10H2,1-2H3,(H,17,20)
InChIKeyNHGFMFBSORNAEU-UHFFFAOYSA-N
XLogP1.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]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-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016980
N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110408284
3-(2,6-difluoro-N-methylsulfonylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113147115
3-(3-cyanoanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017019
3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109017050
2-(2-chloro-6-fluorophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 132964109
N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109016988
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793
N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide
CID 108995266
3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016959
N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109016992
N-[(4-chlorophenyl)methyl]-3-(2,6-difluoroanilino)propanamide
CID 109021782

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide (CID 109017023) is 3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide is CN(C)CCCNC(=O)CCNc1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is NHGFMFBSORNAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-19(2)10-4-8-17-13(20)7-9-18-14-11(15)5-3-6-12(14)16/h3,5-6,18H,4,7-10H2,1-2H3,(H,17,20).
What are the key properties of 3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide?
3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 285.34 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 109017023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).