N-(difluoromethylcarbamoyl)prop-2-enamide

C5H6F2N2O2 — CID 22568303

IUPACN-(difluoromethylcarbamoyl)prop-2-enamide
SMILESC=CC(=O)NC(=O)NC(F)F
InChIInChI=1S/C5H6F2N2O2/c1-2-3(10)8-5(11)9-4(6)7/h2,4H,1H2,(H2,8,9,10,11)
InChIKeyMGQCBNPPWWUBKU-UHFFFAOYSA-N
MW164.11 g/mol
LogP0.22
Rot. Bonds2

About N-(difluoromethylcarbamoyl)prop-2-enamide

N-(difluoromethylcarbamoyl)prop-2-enamide (PubChem CID 22568303) has the molecular formula C5H6F2N2O2 and a molecular weight of 164.11 g/mol. Its IUPAC name is N-(difluoromethylcarbamoyl)prop-2-enamide.

Molecular Properties

Compound NameN-(difluoromethylcarbamoyl)prop-2-enamide
PubChem CID22568303
Molecular FormulaC5H6F2N2O2
Molecular Weight164.11 g/mol
Exact Mass164.04
IUPAC NameN-(difluoromethylcarbamoyl)prop-2-enamide
SMILESC=CC(=O)NC(=O)NC(F)F
InChIInChI=1S/C5H6F2N2O2/c1-2-3(10)8-5(11)9-4(6)7/h2,4H,1H2,(H2,8,9,10,11)
InChIKeyMGQCBNPPWWUBKU-UHFFFAOYSA-N
XLogP0.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.11
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethylcarbamoyl)prop-2-enamide?
The IUPAC name of N-(difluoromethylcarbamoyl)prop-2-enamide (CID 22568303) is N-(difluoromethylcarbamoyl)prop-2-enamide.
What is the SMILES notation for N-(difluoromethylcarbamoyl)prop-2-enamide?
The canonical SMILES for N-(difluoromethylcarbamoyl)prop-2-enamide is C=CC(=O)NC(=O)NC(F)F.
What is the InChIKey of N-(difluoromethylcarbamoyl)prop-2-enamide?
The InChIKey is MGQCBNPPWWUBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O2/c1-2-3(10)8-5(11)9-4(6)7/h2,4H,1H2,(H2,8,9,10,11).
What are the key properties of N-(difluoromethylcarbamoyl)prop-2-enamide?
N-(difluoromethylcarbamoyl)prop-2-enamide has a molecular weight of 164.11 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethylcarbamoyl)prop-2-enamide is sourced from PubChem (CID 22568303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).