N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide

C12H16F2N2O2 — CID 106307851

IUPACN-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide
SMILESNCCOCCCNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O2/c13-9-2-3-11(14)10(8-9)12(17)16-5-1-6-18-7-4-15/h2-3,8H,1,4-7,15H2,(H,16,17)
InChIKeyQODYYEMMQCZXPQ-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.06
Rot. Bonds7

About N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide

N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide (PubChem CID 106307851) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide
PubChem CID106307851
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC NameN-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide
SMILESNCCOCCCNC(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H16F2N2O2/c13-9-2-3-11(14)10(8-9)12(17)16-5-1-6-18-7-4-15/h2-3,8H,1,4-7,15H2,(H,16,17)
InChIKeyQODYYEMMQCZXPQ-UHFFFAOYSA-N
XLogP1.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
CID 106307478
2,5-difluoro-N-(3-iodopropyl)benzamide
CID 114504363
N-(3-chloropropyl)-2,5-difluorobenzamide
CID 43133472
5-fluoro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzamide
CID 113364744
2,5-difluoro-N-(4-iodobutyl)benzamide
CID 106846072
2-bromo-N-[3-(2-chloroethoxy)propyl]-5-fluorobenzamide
CID 106306823
2,5-difluoro-N-undecylbenzamide
CID 91717430
N-[3-(2-aminoethoxy)propyl]-2,3-dihydroxybenzamide
CID 114171525
2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699987
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 106307985
2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 60668712

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide (CID 106307851) is N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide is NCCOCCCNC(=O)c1cc(F)ccc1F.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide?
The InChIKey is QODYYEMMQCZXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c13-9-2-3-11(14)10(8-9)12(17)16-5-1-6-18-7-4-15/h2-3,8H,1,4-7,15H2,(H,16,17).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide?
N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide has a molecular weight of 258.27 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide is sourced from PubChem (CID 106307851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).