3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide

C10H11F2N3O2 — CID 79772736

IUPAC3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
SMILESNC(=O)CCNC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C10H11F2N3O2/c11-5-1-2-6(13)9(12)8(5)10(17)15-4-3-7(14)16/h1-2H,3-4,13H2,(H2,14,16)(H,15,17)
InChIKeyDLTKRGKSALXJHG-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.15
Rot. Bonds4

About 3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide

3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide (PubChem CID 79772736) has the molecular formula C10H11F2N3O2 and a molecular weight of 243.21 g/mol. Its IUPAC name is 3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
PubChem CID79772736
Molecular FormulaC10H11F2N3O2
Molecular Weight243.21 g/mol
Exact Mass243.08
IUPAC Name3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
SMILESNC(=O)CCNC(=O)c1c(F)ccc(N)c1F
InChIInChI=1S/C10H11F2N3O2/c11-5-1-2-6(13)9(12)8(5)10(17)15-4-3-7(14)16/h1-2H,3-4,13H2,(H2,14,16)(H,15,17)
InChIKeyDLTKRGKSALXJHG-UHFFFAOYSA-N
XLogP0.15
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate
CID 83202374
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
3-amino-2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 79773667
3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79772967
3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide
CID 107814586
3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308320
3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 79773779
3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79772907
3-amino-2,6-difluoro-N-[(1-methylcyclopropyl)methyl]benzamide
CID 114098972
3-amino-2,6-difluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 79758963
3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 79773105
2-amino-N-(3-amino-3-oxopropyl)-4-chlorobenzamide
CID 43553064

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide?
The IUPAC name of 3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide (CID 79772736) is 3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide?
The canonical SMILES for 3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide is NC(=O)CCNC(=O)c1c(F)ccc(N)c1F.
What is the InChIKey of 3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide?
The InChIKey is DLTKRGKSALXJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O2/c11-5-1-2-6(13)9(12)8(5)10(17)15-4-3-7(14)16/h1-2H,3-4,13H2,(H2,14,16)(H,15,17).
What are the key properties of 3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide?
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide has a molecular weight of 243.21 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide is sourced from PubChem (CID 79772736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).