N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide

C17H11ClFN3O — CID 76884248

IUPACN-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(C=Cc1cnc2ccccc2n1)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C17H11ClFN3O/c18-13-7-5-11(9-14(13)19)22-17(23)8-6-12-10-20-15-3-1-2-4-16(15)21-12/h1-10H,(H,22,23)
InChIKeyNJZJPVIJYRVZKH-UHFFFAOYSA-N
MW327.75 g/mol
LogP4.07
Rot. Bonds3

About N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide

N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 76884248) has the molecular formula C17H11ClFN3O and a molecular weight of 327.75 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
PubChem CID76884248
Molecular FormulaC17H11ClFN3O
Molecular Weight327.75 g/mol
Exact Mass327.06
IUPAC NameN-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
SMILESO=C(C=Cc1cnc2ccccc2n1)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C17H11ClFN3O/c18-13-7-5-11(9-14(13)19)22-17(23)8-6-12-10-20-15-3-1-2-4-16(15)21-12/h1-10H,(H,22,23)
InChIKeyNJZJPVIJYRVZKH-UHFFFAOYSA-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-(3-chloro-4-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26695967
(E)-N-(3-chlorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26086334
(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78783120
(E)-N-(3-chloro-2-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17392748
(E)-N-(4-fluoro-2-methylphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 26239755
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 37348146
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 3371220
(E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 26686995
(E)-N-[1-(2-chlorophenyl)ethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 78773460
1-(4-chlorophenyl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 84906464
(E)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-quinoxalin-2-ylprop-2-enamide
CID 87032419
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-quinoxalin-2-ylprop-2-enamide
CID 76884420

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide (CID 76884248) is N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide is O=C(C=Cc1cnc2ccccc2n1)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is NJZJPVIJYRVZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O/c18-13-7-5-11(9-14(13)19)22-17(23)8-6-12-10-20-15-3-1-2-4-16(15)21-12/h1-10H,(H,22,23).
What are the key properties of N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide?
N-(4-chloro-3-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 N-(4-chloro-3-fluorophenyl)-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 76884248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).