3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride

C15H26Cl2FN3O — CID 120503280

IUPAC3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCCCN(C)c1ccccc1F.Cl.Cl
InChIInChI=1S/C15H24FN3O.2ClH/c1-11(12(2)17)15(20)18-9-6-10-19(3)14-8-5-4-7-13(14)16;;/h4-5,7-8,11-12H,6,9-10,17H2,1-3H3,(H,18,20);2*1H
InChIKeyFMUZBXNYDDVDTQ-UHFFFAOYSA-N
MW354.30 g/mol
LogP2.60
Rot. Bonds7

About 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride

3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride (PubChem CID 120503280) has the molecular formula C15H26Cl2FN3O and a molecular weight of 354.30 g/mol. Its IUPAC name is 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride
PubChem CID120503280
Molecular FormulaC15H26Cl2FN3O
Molecular Weight354.30 g/mol
Exact Mass353.14
IUPAC Name3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NCCCN(C)c1ccccc1F.Cl.Cl
InChIInChI=1S/C15H24FN3O.2ClH/c1-11(12(2)17)15(20)18-9-6-10-19(3)14-8-5-4-7-13(14)16;;/h4-5,7-8,11-12H,6,9-10,17H2,1-3H3,(H,18,20);2*1H
InChIKeyFMUZBXNYDDVDTQ-UHFFFAOYSA-N
XLogP2.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride 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

4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]pentanamide
CID 120564944
4-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-3-methoxybutanamide;dihydrochloride
CID 120595850
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119861519
N-[(2R)-1-[3-(2-fluoro-N-methylanilino)propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94796085
1-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-thiophen-2-ylethyl)urea
CID 60547328
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(2-fluoro-N-methylanilino)propyl]propanamide
CID 55907635
(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55953589
1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea
CID 60544274
N-[3-(2-fluoro-N-methylanilino)propyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55954994
1-[3-(2-fluoro-N-methylanilino)propyl]-2-propylguanidine
CID 111077591
3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503065
(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide
CID 94866111

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride (CID 120503280) is 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride is CC(N)C(C)C(=O)NCCCN(C)c1ccccc1F.Cl.Cl.
What is the InChIKey of 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride?
The InChIKey is FMUZBXNYDDVDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O.2ClH/c1-11(12(2)17)15(20)18-9-6-10-19(3)14-8-5-4-7-13(14)16;;/h4-5,7-8,11-12H,6,9-10,17H2,1-3H3,(H,18,20);2*1H.
What are the key properties of 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride?
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride has a molecular weight of 354.30 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylbutanamide;dihydrochloride is sourced from PubChem (CID 120503280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).