N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide

C13H9BrClN3O — CID 77072567

IUPACN-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1cnc(Br)cn1
InChIInChI=1S/C13H9BrClN3O/c14-11-7-17-12(8-16-11)18-13(19)6-3-9-1-4-10(15)5-2-9/h1-8H,(H,17,18,19)
InChIKeyIPSGDCVVEWLSFM-UHFFFAOYSA-N
MW338.59 g/mol
LogP3.54
Rot. Bonds3

About N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide

N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 77072567) has the molecular formula C13H9BrClN3O and a molecular weight of 338.59 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID77072567
Molecular FormulaC13H9BrClN3O
Molecular Weight338.59 g/mol
Exact Mass336.96
IUPAC NameN-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1cnc(Br)cn1
InChIInChI=1S/C13H9BrClN3O/c14-11-7-17-12(8-16-11)18-13(19)6-3-9-1-4-10(15)5-2-9/h1-8H,(H,17,18,19)
InChIKeyIPSGDCVVEWLSFM-UHFFFAOYSA-N
XLogP3.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 800746
(E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 102820557
(E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 6134268
N-[(5-bromo-2-pyridinyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 1345680
(E)-3-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55028215
3-(4-bromophenyl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
CID 897837
(E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 33327740
(E)-3-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)prop-2-enamide
CID 118731079
(E)-3-(4-chlorophenyl)-N-(4-iodo-3,5-dimethylphenyl)prop-2-enamide
CID 17274650
(E)-3-(4-chlorophenyl)-N-(4-chloropyrimidin-2-yl)prop-2-enamide
CID 114052558
(E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
CID 103789430
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide (CID 77072567) is N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)Nc1cnc(Br)cn1.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is IPSGDCVVEWLSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3O/c14-11-7-17-12(8-16-11)18-13(19)6-3-9-1-4-10(15)5-2-9/h1-8H,(H,17,18,19).
What are the key properties of N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide?
N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 338.59 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 77072567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).