3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide

C11H11ClFNO — CID 3523544

IUPAC3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)C=Cc1c(F)cccc1Cl
InChIInChI=1S/C11H11ClFNO/c1-2-14-11(15)7-6-8-9(12)4-3-5-10(8)13/h3-7H,2H2,1H3,(H,14,15)
InChIKeyWSCUDVITPUSWQY-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.63
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide

3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide (PubChem CID 3523544) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide
PubChem CID3523544
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide
SMILESCCNC(=O)C=Cc1c(F)cccc1Cl
InChIInChI=1S/C11H11ClFNO/c1-2-14-11(15)7-6-8-9(12)4-3-5-10(8)13/h3-7H,2H2,1H3,(H,14,15)
InChIKeyWSCUDVITPUSWQY-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide (CID 3523544) is 3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide is CCNC(=O)C=Cc1c(F)cccc1Cl.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide?
The InChIKey is WSCUDVITPUSWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c1-2-14-11(15)7-6-8-9(12)4-3-5-10(8)13/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide?
3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide has a molecular weight of 227.67 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 3523544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).