N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide

C13H17FN2O — CID 81365829

IUPACN-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N[C@H](C)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c1-3-7-15-9-13(17)16-10(2)11-5-4-6-12(14)8-11/h3-6,8,10,15H,1,7,9H2,2H3,(H,16,17)/t10-/m1/s1
InChIKeyAYGGNYNNRNLXIF-SNVBAGLBSA-N
MW236.29 g/mol
LogP1.78
Rot. Bonds6

About N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide

N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide (PubChem CID 81365829) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide
PubChem CID81365829
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N[C@H](C)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O/c1-3-7-15-9-13(17)16-10(2)11-5-4-6-12(14)8-11/h3-6,8,10,15H,1,7,9H2,2H3,(H,16,17)/t10-/m1/s1
InChIKeyAYGGNYNNRNLXIF-SNVBAGLBSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(propylamino)acetamide
CID 81365152
N-[1-(2,6-difluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79286334
2-bromo-N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81365784
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-hydroxybutanamide
CID 81366330
N-[(1S)-1-(3-fluorophenyl)ethyl]butanamide
CID 81366054
N-[1-(4-methylsulfanylphenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79285008
N-[1-(3-fluorophenyl)ethyl]-5-hydroxypentanamide
CID 79199383
6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide
CID 81366520
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 20994890
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 51653519
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 81363876

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide (CID 81365829) is N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N[C@H](C)c1cccc(F)c1.
What is the InChIKey of N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is AYGGNYNNRNLXIF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-3-7-15-9-13(17)16-10(2)11-5-4-6-12(14)8-11/h3-6,8,10,15H,1,7,9H2,2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide?
N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 236.29 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 81365829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).