2-(3-fluoropropylamino)propanamide

C6H13FN2O — CID 81105726

IUPAC2-(3-fluoropropylamino)propanamide
SMILESCC(NCCCF)C(N)=O
InChIInChI=1S/C6H13FN2O/c1-5(6(8)10)9-4-2-3-7/h5,9H,2-4H2,1H3,(H2,8,10)
InChIKeyHLUBHPQHVQTNDX-UHFFFAOYSA-N
MW148.18 g/mol
LogP-0.19
Rot. Bonds5

About 2-(3-fluoropropylamino)propanamide

2-(3-fluoropropylamino)propanamide (PubChem CID 81105726) has the molecular formula C6H13FN2O and a molecular weight of 148.18 g/mol. Its IUPAC name is 2-(3-fluoropropylamino)propanamide.

Molecular Properties

Compound Name2-(3-fluoropropylamino)propanamide
PubChem CID81105726
Molecular FormulaC6H13FN2O
Molecular Weight148.18 g/mol
Exact Mass148.10
IUPAC Name2-(3-fluoropropylamino)propanamide
SMILESCC(NCCCF)C(N)=O
InChIInChI=1S/C6H13FN2O/c1-5(6(8)10)9-4-2-3-7/h5,9H,2-4H2,1H3,(H2,8,10)
InChIKeyHLUBHPQHVQTNDX-UHFFFAOYSA-N
XLogP-0.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxypropylamino)propanamide
CID 43392787
2-(2-aminoethylamino)propanamide
CID 20551229
2-(4,4,4-trifluorobutylamino)propanamide
CID 115513545
(2S)-2-(2-hydroxyethylamino)propanamide
CID 93033472
2-(propylamino)propanamide
CID 43086178
(2S)-2-(propylamino)propanamide
CID 28835957
2-(3-methylbutylamino)propanamide
CID 43086017
N,N-diethyl-2-(3-fluoropropylamino)propanamide
CID 115731800
N-cyclopropyl-2-(3-fluoropropylamino)propanamide
CID 115731798
2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
CID 83211096
2-(2-methylsulfanylethylamino)propanamide
CID 60672708
2-(3-methylbut-3-enylamino)propanamide
CID 114472047

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropylamino)propanamide?
The IUPAC name of 2-(3-fluoropropylamino)propanamide (CID 81105726) is 2-(3-fluoropropylamino)propanamide.
What is the SMILES notation for 2-(3-fluoropropylamino)propanamide?
The canonical SMILES for 2-(3-fluoropropylamino)propanamide is CC(NCCCF)C(N)=O.
What is the InChIKey of 2-(3-fluoropropylamino)propanamide?
The InChIKey is HLUBHPQHVQTNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O/c1-5(6(8)10)9-4-2-3-7/h5,9H,2-4H2,1H3,(H2,8,10).
What are the key properties of 2-(3-fluoropropylamino)propanamide?
2-(3-fluoropropylamino)propanamide has a molecular weight of 148.18 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropylamino)propanamide is sourced from PubChem (CID 81105726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).