(E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide

C17H11ClFN3O — CID 17392748

IUPAC(E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)Nc1cccc(Cl)c1F
InChIInChI=1S/C17H11ClFN3O/c18-12-4-3-7-15(17(12)19)22-16(23)9-8-11-10-20-13-5-1-2-6-14(13)21-11/h1-10H,(H,22,23)/b9-8+
InChIKeyZZBIWXKZVUYRJR-CMDGGOBGSA-N
MW327.75 g/mol
LogP4.07
Rot. Bonds3

About (E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide

(E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 17392748) has the molecular formula C17H11ClFN3O and a molecular weight of 327.75 g/mol. Its IUPAC name is (E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
PubChem CID17392748
Molecular FormulaC17H11ClFN3O
Molecular Weight327.75 g/mol
Exact Mass327.06
IUPAC Name(E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1cnc2ccccc2n1)Nc1cccc(Cl)c1F
InChIInChI=1S/C17H11ClFN3O/c18-12-4-3-7-15(17(12)19)22-16(23)9-8-11-10-20-13-5-1-2-6-14(13)21-11/h1-10H,(H,22,23)/b9-8+
InChIKeyZZBIWXKZVUYRJR-CMDGGOBGSA-N
XLogP4.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 37348146
(E)-N-(3-chloro-4-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26695967
N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 76884248
(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26086334
(E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26239755
(E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 29292187
(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17444738
(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78783120
(E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 78773460
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
CID 4883206
N-(2-propan-2-ylpyrazol-3-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78772196

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide (CID 17392748) is (E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide is O=C(/C=C/c1cnc2ccccc2n1)Nc1cccc(Cl)c1F.
What is the InChIKey of (E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is ZZBIWXKZVUYRJR-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H11ClFN3O/c18-12-4-3-7-15(17(12)19)22-16(23)9-8-11-10-20-13-5-1-2-6-14(13)21-11/h1-10H,(H,22,23)/b9-8+.
What are the key properties of (E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 327.75 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 17392748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).