N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide

C17H25F2N3O2 — CID 46447028

IUPACN-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCCN(CC)C(C)CNC(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H25F2N3O2/c1-4-22(5-2)12(3)11-21-16(23)8-9-20-17(24)14-7-6-13(18)10-15(14)19/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyAAWDIKGKDKXMAI-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.93
Rot. Bonds9

About N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 46447028) has the molecular formula C17H25F2N3O2 and a molecular weight of 341.40 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID46447028
Molecular FormulaC17H25F2N3O2
Molecular Weight341.40 g/mol
Exact Mass341.19
IUPAC NameN-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESCCN(CC)C(C)CNC(=O)CCNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H25F2N3O2/c1-4-22(5-2)12(3)11-21-16(23)8-9-20-17(24)14-7-6-13(18)10-15(14)19/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyAAWDIKGKDKXMAI-UHFFFAOYSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-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

2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
CID 43039090
2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
CID 78802712
2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide
CID 115583771
2,4-difluoro-N-[4-(3-methylbutylamino)-4-oxobutyl]benzamide
CID 78803699
2,4-difluoro-N-[3-[1-(4-methylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 46586720
N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638
N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51317758
N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55784346
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 29478462
N-[3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51192686

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide (CID 46447028) is N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide is CCN(CC)C(C)CNC(=O)CCNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is AAWDIKGKDKXMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O2/c1-4-22(5-2)12(3)11-21-16(23)8-9-20-17(24)14-7-6-13(18)10-15(14)19/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 341.40 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(diethylamino)propylamino]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 46447028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).