3-(2-fluoroethylamino)-N-methylpropanamide

C6H13FN2O — CID 80695832

IUPAC3-(2-fluoroethylamino)-N-methylpropanamide
SMILESCNC(=O)CCNCCF
InChIInChI=1S/C6H13FN2O/c1-8-6(10)2-4-9-5-3-7/h9H,2-5H2,1H3,(H,8,10)
InChIKeyBLXVYUDNVASZKM-UHFFFAOYSA-N
MW148.18 g/mol
LogP-0.32
Rot. Bonds5

About 3-(2-fluoroethylamino)-N-methylpropanamide

3-(2-fluoroethylamino)-N-methylpropanamide (PubChem CID 80695832) has the molecular formula C6H13FN2O and a molecular weight of 148.18 g/mol. Its IUPAC name is 3-(2-fluoroethylamino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-fluoroethylamino)-N-methylpropanamide
PubChem CID80695832
Molecular FormulaC6H13FN2O
Molecular Weight148.18 g/mol
Exact Mass148.10
IUPAC Name3-(2-fluoroethylamino)-N-methylpropanamide
SMILESCNC(=O)CCNCCF
InChIInChI=1S/C6H13FN2O/c1-8-6(10)2-4-9-5-3-7/h9H,2-5H2,1H3,(H,8,10)
InChIKeyBLXVYUDNVASZKM-UHFFFAOYSA-N
XLogP-0.32
TPSA41.13 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 ≤ 5-0.32
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

3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
CID 143379058
N-methyl-3-(2-methylsulfanylethylamino)propanamide
CID 63967095
3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethylamino]-N-methylpropanamide
CID 58105683
3-[3-(dimethylamino)propylamino]-N-methylpropanamide
CID 62325498
3-[2-(dimethylamino)propylamino]-N-methylpropanamide
CID 62326245
N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106723531
3-(6-methoxyhexylamino)-N-methylpropanamide
CID 143379158
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
3-bromo-N-methylpropanamide
CID 23033748
2,2-dimethyl-3-[[3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 79623755
2-[[[3-(methylamino)-3-oxopropyl]amino]methyl]prop-2-enoic acid
CID 103245953
3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide
CID 65111221

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylamino)-N-methylpropanamide?
The IUPAC name of 3-(2-fluoroethylamino)-N-methylpropanamide (CID 80695832) is 3-(2-fluoroethylamino)-N-methylpropanamide.
What is the SMILES notation for 3-(2-fluoroethylamino)-N-methylpropanamide?
The canonical SMILES for 3-(2-fluoroethylamino)-N-methylpropanamide is CNC(=O)CCNCCF.
What is the InChIKey of 3-(2-fluoroethylamino)-N-methylpropanamide?
The InChIKey is BLXVYUDNVASZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O/c1-8-6(10)2-4-9-5-3-7/h9H,2-5H2,1H3,(H,8,10).
What are the key properties of 3-(2-fluoroethylamino)-N-methylpropanamide?
3-(2-fluoroethylamino)-N-methylpropanamide has a molecular weight of 148.18 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylamino)-N-methylpropanamide is sourced from PubChem (CID 80695832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).