3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide

C12H16F2N2O3 — CID 106308320

IUPAC3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide
SMILESNc1ccc(F)c(C(=O)NCCCOCCO)c1F
InChIInChI=1S/C12H16F2N2O3/c13-8-2-3-9(15)11(14)10(8)12(18)16-4-1-6-19-7-5-17/h2-3,17H,1,4-7,15H2,(H,16,18)
InChIKeyXMZHVSKITJWJDU-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.68
Rot. Bonds7

About 3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide

3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide (PubChem CID 106308320) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide
PubChem CID106308320
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide
SMILESNc1ccc(F)c(C(=O)NCCCOCCO)c1F
InChIInChI=1S/C12H16F2N2O3/c13-8-2-3-9(15)11(14)10(8)12(18)16-4-1-6-19-7-5-17/h2-3,17H,1,4-7,15H2,(H,16,18)
InChIKeyXMZHVSKITJWJDU-UHFFFAOYSA-N
XLogP0.68
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 79773667
3-amino-2,6-difluoro-N-(3-hydroxypropyl)benzamide
CID 79773787
2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate
CID 83202374
2,6-difluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzamide
CID 82816311
2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308242
3-amino-N-(3-amino-3-oxopropyl)-2,6-difluorobenzamide
CID 79772736
3-amino-2,6-difluoro-N-(7-methyloctyl)benzamide
CID 107814586
N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 106307985
3-amino-N-(cyclohexylmethyl)-2,6-difluorobenzamide
CID 79773789
3-amino-2,6-difluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79772907
5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
CID 113364744
3-amino-N-[2-[ethyl(methyl)amino]ethyl]-2,6-difluorobenzamide
CID 79772967

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide (CID 106308320) is 3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide is Nc1ccc(F)c(C(=O)NCCCOCCO)c1F.
What is the InChIKey of 3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide?
The InChIKey is XMZHVSKITJWJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c13-8-2-3-9(15)11(14)10(8)12(18)16-4-1-6-19-7-5-17/h2-3,17H,1,4-7,15H2,(H,16,18).
What are the key properties of 3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide?
3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide has a molecular weight of 274.27 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide is sourced from PubChem (CID 106308320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).