N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide

C12H9ClFN3O2 — CID 104964229

IUPACN-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnc(Cl)cn2)cc1F
InChIInChI=1S/C12H9ClFN3O2/c1-19-9-3-2-7(4-8(9)14)12(18)17-11-6-15-10(13)5-16-11/h2-6H,1H3,(H,16,17,18)
InChIKeyDNDKMWOSWIFYEY-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.53
Rot. Bonds3

About N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide

N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide (PubChem CID 104964229) has the molecular formula C12H9ClFN3O2 and a molecular weight of 281.67 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide
PubChem CID104964229
Molecular FormulaC12H9ClFN3O2
Molecular Weight281.67 g/mol
Exact Mass281.04
IUPAC NameN-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cnc(Cl)cn2)cc1F
InChIInChI=1S/C12H9ClFN3O2/c1-19-9-3-2-7(4-8(9)14)12(18)17-11-6-15-10(13)5-16-11/h2-6H,1H3,(H,16,17,18)
InChIKeyDNDKMWOSWIFYEY-UHFFFAOYSA-N
XLogP2.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide 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-chloropyrazin-2-yl)-3-hydroxy-4-methoxybenzamide
CID 107595847
3-chloro-N-(5-chloropyrazin-2-yl)-4-fluorobenzamide
CID 107595855
N-(3,5-dichlorophenyl)-3-fluoro-4-methoxybenzamide
CID 27844181
3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527065
N-(5-chloropyrazin-2-yl)-3-hydroxy-4-methylbenzamide
CID 107595708
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
N-[5-chloro-2-(dimethylamino)phenyl]-3-fluoro-4-methoxybenzamide
CID 78807126
N-(4-amino-2-chlorophenyl)-3-fluoro-4-methoxybenzamide
CID 62918843
3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019113
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide
CID 104964163

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide (CID 104964229) is N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2cnc(Cl)cn2)cc1F.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide?
The InChIKey is DNDKMWOSWIFYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O2/c1-19-9-3-2-7(4-8(9)14)12(18)17-11-6-15-10(13)5-16-11/h2-6H,1H3,(H,16,17,18).
What are the key properties of N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide?
N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide has a molecular weight of 281.67 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 104964229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).