N-fluoro-N-[2-(propylamino)ethyl]acetamide

C7H15FN2O — CID 142132156

IUPACN-fluoro-N-[2-(propylamino)ethyl]acetamide
SMILESCCCNCCN(F)C(C)=O
InChIInChI=1S/C7H15FN2O/c1-3-4-9-5-6-10(8)7(2)11/h9H,3-6H2,1-2H3
InChIKeyIAAGXGHTIHWOBB-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.72
Rot. Bonds5

About N-fluoro-N-[2-(propylamino)ethyl]acetamide

N-fluoro-N-[2-(propylamino)ethyl]acetamide (PubChem CID 142132156) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is N-fluoro-N-[2-(propylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-fluoro-N-[2-(propylamino)ethyl]acetamide
PubChem CID142132156
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC NameN-fluoro-N-[2-(propylamino)ethyl]acetamide
SMILESCCCNCCN(F)C(C)=O
InChIInChI=1S/C7H15FN2O/c1-3-4-9-5-6-10(8)7(2)11/h9H,3-6H2,1-2H3
InChIKeyIAAGXGHTIHWOBB-UHFFFAOYSA-N
XLogP0.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-(propylamino)ethyl]acetamide
CID 21337705
N-propyl-N-[2-(propylamino)ethyl]acetamide
CID 118586484
N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
CID 122700758
N',N'-dimethyl-N-propylethane-1,2-diamine;ethane
CID 134080811
tert-butyl N-methyl-N-[2-(propylamino)ethyl]carbamate
CID 89066320
4-[propyl-[3-(propylamino)propyl]amino]butan-2-one
CID 118673927
ethane;3-(propylamino)propanoic acid
CID 145416081
2,3-dihydroxybutanedioic acid;N-propylpropan-1-amine
CID 139301473
hexanedioic acid;N-propylpropan-1-amine
CID 88686443
N-[2-[amino(propyl)amino]ethyl]propan-1-amine
CID 143220507
azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322
N,N',N'-trimethyl-3-(propylamino)propanehydrazide
CID 87500592

Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-[2-(propylamino)ethyl]acetamide?
The IUPAC name of N-fluoro-N-[2-(propylamino)ethyl]acetamide (CID 142132156) is N-fluoro-N-[2-(propylamino)ethyl]acetamide.
What is the SMILES notation for N-fluoro-N-[2-(propylamino)ethyl]acetamide?
The canonical SMILES for N-fluoro-N-[2-(propylamino)ethyl]acetamide is CCCNCCN(F)C(C)=O.
What is the InChIKey of N-fluoro-N-[2-(propylamino)ethyl]acetamide?
The InChIKey is IAAGXGHTIHWOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O/c1-3-4-9-5-6-10(8)7(2)11/h9H,3-6H2,1-2H3.
What are the key properties of N-fluoro-N-[2-(propylamino)ethyl]acetamide?
N-fluoro-N-[2-(propylamino)ethyl]acetamide has a molecular weight of 162.21 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-[2-(propylamino)ethyl]acetamide is sourced from PubChem (CID 142132156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).