N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide

C12H13F5N2O2 — CID 106307985

IUPACN-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide
SMILESNCCOCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H13F5N2O2/c13-7-6(8(14)10(16)11(17)9(7)15)12(20)19-3-1-4-21-5-2-18/h1-5,18H2,(H,19,20)
InChIKeyCEDWLXMKBZERBS-UHFFFAOYSA-N
MW312.24 g/mol
LogP1.48
Rot. Bonds7

About N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide

N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide (PubChem CID 106307985) has the molecular formula C12H13F5N2O2 and a molecular weight of 312.24 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide
PubChem CID106307985
Molecular FormulaC12H13F5N2O2
Molecular Weight312.24 g/mol
Exact Mass312.09
IUPAC NameN-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide
SMILESNCCOCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H13F5N2O2/c13-7-6(8(14)10(16)11(17)9(7)15)12(20)19-3-1-4-21-5-2-18/h1-5,18H2,(H,19,20)
InChIKeyCEDWLXMKBZERBS-UHFFFAOYSA-N
XLogP1.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide
CID 106307851
3-amino-2,6-difluoro-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308320
N-[3-(2-aminoethoxy)propyl]furan-3-carboxamide
CID 106307825
N-[2-(2-aminoethoxy)ethyl]-2-fluoro-6-hydroxybenzamide
CID 107017062
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide
CID 106307969
N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide
CID 106153328
N-[3-(2-aminoethoxy)propyl]-2,3-dihydroxybenzamide
CID 114171525
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentafluorobenzamide
CID 4207479
2-(2-aminoethoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79473525
N-[3-(2-aminoethoxy)propyl]-4,4,4-trifluorobutanamide
CID 106308033
N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide
CID 106307767

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide (CID 106307985) is N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide is NCCOCCCNC(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is CEDWLXMKBZERBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5N2O2/c13-7-6(8(14)10(16)11(17)9(7)15)12(20)19-3-1-4-21-5-2-18/h1-5,18H2,(H,19,20).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide?
N-[3-(2-aminoethoxy)propyl]-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 312.24 g/mol, XLogP of 1.48, 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]-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 106307985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).