4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide

C11H15F2N3O — CID 155067191

IUPAC4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide
SMILESNCCCCNC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C11H15F2N3O/c12-8-5-7(6-9(13)10(8)15)11(17)16-4-2-1-3-14/h5-6H,1-4,14-15H2,(H,16,17)
InChIKeyUELYSEDUHOMVCT-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.02
Rot. Bonds5

About 4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide

4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide (PubChem CID 155067191) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide
PubChem CID155067191
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide
SMILESNCCCCNC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C11H15F2N3O/c12-8-5-7(6-9(13)10(8)15)11(17)16-4-2-1-3-14/h5-6H,1-4,14-15H2,(H,16,17)
InChIKeyUELYSEDUHOMVCT-UHFFFAOYSA-N
XLogP1.02
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide 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-3,5-difluoro-N-(3-methoxypropyl)benzamide
CID 63187415
4-amino-3,5-difluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 63185530
N-(5-amino-5-oxopentyl)-3,4,5-trifluorobenzamide
CID 103896382
4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide
CID 63185424
3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945
3-amino-5-fluoro-N-hexyl-4-methylbenzamide
CID 61111175
N-(4-aminobutyl)-6-fluoropyridine-3-carboxamide
CID 63978211
1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
CID 23569595
N-(5-aminopentyl)-4-hydroxybenzamide
CID 11459592
N-(3-aminopropyl)-3-fluoro-4-(trifluoromethyl)benzamide
CID 118973559
4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide
CID 63834672
N-(5-amino-5-hydroxyiminopentyl)-3,4,5-trifluorobenzamide
CID 77036928

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide?
The IUPAC name of 4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide (CID 155067191) is 4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide.
What is the SMILES notation for 4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide?
The canonical SMILES for 4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide is NCCCCNC(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide?
The InChIKey is UELYSEDUHOMVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c12-8-5-7(6-9(13)10(8)15)11(17)16-4-2-1-3-14/h5-6H,1-4,14-15H2,(H,16,17).
What are the key properties of 4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide?
4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide has a molecular weight of 243.26 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-aminobutyl)-3,5-difluorobenzamide is sourced from PubChem (CID 155067191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).