N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide

C12H9ClIN3O — CID 114029858

IUPACN-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cnc(Cl)cn2)c1I
InChIInChI=1S/C12H9ClIN3O/c1-7-3-2-4-8(11(7)14)12(18)17-10-6-15-9(13)5-16-10/h2-6H,1H3,(H,16,17,18)
InChIKeyKLWZHGDPGRJRGX-UHFFFAOYSA-N
MW373.58 g/mol
LogP3.30
Rot. Bonds2

About N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide

N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide (PubChem CID 114029858) has the molecular formula C12H9ClIN3O and a molecular weight of 373.58 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide
PubChem CID114029858
Molecular FormulaC12H9ClIN3O
Molecular Weight373.58 g/mol
Exact Mass372.95
IUPAC NameN-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cnc(Cl)cn2)c1I
InChIInChI=1S/C12H9ClIN3O/c1-7-3-2-4-8(11(7)14)12(18)17-10-6-15-9(13)5-16-10/h2-6H,1H3,(H,16,17,18)
InChIKeyKLWZHGDPGRJRGX-UHFFFAOYSA-N
XLogP3.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
CID 39718566
N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103617949
N-(5-chloropyrazin-2-yl)-2-hydroxybenzamide
CID 107595825
N-(5-chloropyrazin-2-yl)-6-methylpyridine-2-carboxamide
CID 104964202
N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103943532
N-(5-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 113236904
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
N-(5-chloropyrazin-2-yl)-3-methylthiophene-2-carboxamide
CID 104964205
N-(5-chloropyrazin-2-yl)thiophene-2-carboxamide
CID 104964135
N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide
CID 113349911
3-chloro-N-(5-iodo-2-pyridinyl)-2-methylbenzamide
CID 107096909

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide (CID 114029858) is N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide is Cc1cccc(C(=O)Nc2cnc(Cl)cn2)c1I.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide?
The InChIKey is KLWZHGDPGRJRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClIN3O/c1-7-3-2-4-8(11(7)14)12(18)17-10-6-15-9(13)5-16-10/h2-6H,1H3,(H,16,17,18).
What are the key properties of N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide?
N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide has a molecular weight of 373.58 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide is sourced from PubChem (CID 114029858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).