prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate

C13H15FN2O3 — CID 108570849

IUPACprop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O3/c1-2-9-19-13(18)16-8-7-15-12(17)10-3-5-11(14)6-4-10/h2-6H,1,7-9H2,(H,15,17)(H,16,18)
InChIKeyLOFSZXYIKAQIIX-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.47
Rot. Bonds6

About prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate

prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate (PubChem CID 108570849) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate
PubChem CID108570849
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Nameprop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O3/c1-2-9-19-13(18)16-8-7-15-12(17)10-3-5-11(14)6-4-10/h2-6H,1,7-9H2,(H,15,17)(H,16,18)
InChIKeyLOFSZXYIKAQIIX-UHFFFAOYSA-N
XLogP1.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

prop-2-enyl N-[2-[(3-chlorobenzoyl)amino]ethyl]carbamate
CID 108571431
prop-2-enyl N-[2-(pyridine-3-carbonylamino)ethyl]carbamate
CID 108570449
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-(2-aminooxyethyl)-4-fluorobenzamide
CID 39239976
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573667
N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299566
prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 108574875
N-[2-(3-aminopropanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299548
N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride
CID 119742010
N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538277

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate (CID 108570849) is prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate is C=CCOC(=O)NCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate?
The InChIKey is LOFSZXYIKAQIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-2-9-19-13(18)16-8-7-15-12(17)10-3-5-11(14)6-4-10/h2-6H,1,7-9H2,(H,15,17)(H,16,18).
What are the key properties of prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate?
prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate has a molecular weight of 266.27 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 108570849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).