5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide

C12H17F2N3O — CID 61139702

IUPAC5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide
SMILESCC(CNC(=O)c1cc(N)c(F)cc1F)N(C)C
InChIInChI=1S/C12H17F2N3O/c1-7(17(2)3)6-16-12(18)8-4-11(15)10(14)5-9(8)13/h4-5,7H,6,15H2,1-3H3,(H,16,18)
InChIKeyDROOGQHWAQXCHR-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.23
Rot. Bonds4

About 5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide

5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide (PubChem CID 61139702) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide
PubChem CID61139702
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide
SMILESCC(CNC(=O)c1cc(N)c(F)cc1F)N(C)C
InChIInChI=1S/C12H17F2N3O/c1-7(17(2)3)6-16-12(18)8-4-11(15)10(14)5-9(8)13/h4-5,7H,6,15H2,1-3H3,(H,16,18)
InChIKeyDROOGQHWAQXCHR-UHFFFAOYSA-N
XLogP1.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-[2-(dimethylamino)propyl]-2,4-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

5-amino-2,4-difluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66092192
2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 54916025
2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide
CID 62508707
5-amino-2,4-difluoro-N-hexylbenzamide
CID 61113245
4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
CID 119861815
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767
5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66180643
2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 60748378
5-amino-2,4-difluoro-N-heptan-2-ylbenzamide
CID 61094469
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981550
5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 61094085
5-amino-2,4-difluoro-N-methyl-N-propylbenzamide
CID 61095171

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide?
The IUPAC name of 5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide (CID 61139702) is 5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide.
What is the SMILES notation for 5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide?
The canonical SMILES for 5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide is CC(CNC(=O)c1cc(N)c(F)cc1F)N(C)C.
What is the InChIKey of 5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide?
The InChIKey is DROOGQHWAQXCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-7(17(2)3)6-16-12(18)8-4-11(15)10(14)5-9(8)13/h4-5,7H,6,15H2,1-3H3,(H,16,18).
What are the key properties of 5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide?
5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide has a molecular weight of 257.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide is sourced from PubChem (CID 61139702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).