N-(ethylcarbamoyl)-2-fluoroprop-2-enamide

C6H9FN2O2 — CID 163798427

IUPACN-(ethylcarbamoyl)-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NC(=O)NCC
InChIInChI=1S/C6H9FN2O2/c1-3-8-6(11)9-5(10)4(2)7/h2-3H2,1H3,(H2,8,9,10,11)
InChIKeyNCVWSNCPQMDXPS-UHFFFAOYSA-N
MW160.15 g/mol
LogP0.32
Rot. Bonds2

About N-(ethylcarbamoyl)-2-fluoroprop-2-enamide

N-(ethylcarbamoyl)-2-fluoroprop-2-enamide (PubChem CID 163798427) has the molecular formula C6H9FN2O2 and a molecular weight of 160.15 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-fluoroprop-2-enamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-fluoroprop-2-enamide
PubChem CID163798427
Molecular FormulaC6H9FN2O2
Molecular Weight160.15 g/mol
Exact Mass160.06
IUPAC NameN-(ethylcarbamoyl)-2-fluoroprop-2-enamide
SMILESC=C(F)C(=O)NC(=O)NCC
InChIInChI=1S/C6H9FN2O2/c1-3-8-6(11)9-5(10)4(2)7/h2-3H2,1H3,(H2,8,9,10,11)
InChIKeyNCVWSNCPQMDXPS-UHFFFAOYSA-N
XLogP0.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-fluoroprop-2-enamide
CID 138502811
1,3-bis(ethylcarbamoyl)urea
CID 134915369
1,3-diethylurea;ethane
CID 142885504
2-chloro-N-(ethylcarbamoyl)acetamide
CID 2304790
N-(2,2-dimethylpropyl)-2-fluoroprop-2-enamide
CID 155070864
1-ethyl-3-[2-(propylamino)ethyl]urea
CID 62664925
N-(ethylcarbamoyl)-2-(methylamino)acetamide
CID 130743896
(1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide
CID 5364079
1-[(E)-but-1-enyl]-3-ethylurea
CID 108910652
1-ethyl-3-methylideneurea
CID 22063397
1-ethyl-3-(1-fluoropropan-2-yl)urea
CID 126991916
1-(dihydroxymethyl)-3-ethylurea
CID 141116762

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-fluoroprop-2-enamide?
The IUPAC name of N-(ethylcarbamoyl)-2-fluoroprop-2-enamide (CID 163798427) is N-(ethylcarbamoyl)-2-fluoroprop-2-enamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-fluoroprop-2-enamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-fluoroprop-2-enamide is C=C(F)C(=O)NC(=O)NCC.
What is the InChIKey of N-(ethylcarbamoyl)-2-fluoroprop-2-enamide?
The InChIKey is NCVWSNCPQMDXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O2/c1-3-8-6(11)9-5(10)4(2)7/h2-3H2,1H3,(H2,8,9,10,11).
What are the key properties of N-(ethylcarbamoyl)-2-fluoroprop-2-enamide?
N-(ethylcarbamoyl)-2-fluoroprop-2-enamide has a molecular weight of 160.15 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-fluoroprop-2-enamide is sourced from PubChem (CID 163798427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).