4-chloro-N-pyrazin-2-ylbenzamide

C11H8ClN3O — CID 2799831

IUPAC4-chloro-N-pyrazin-2-ylbenzamide
SMILESO=C(Nc1cnccn1)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClN3O/c12-9-3-1-8(2-4-9)11(16)15-10-7-13-5-6-14-10/h1-7H,(H,14,15,16)
InChIKeyLWTIAYDDQRFEMY-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.38
Rot. Bonds2

About 4-chloro-N-pyrazin-2-ylbenzamide

4-chloro-N-pyrazin-2-ylbenzamide (PubChem CID 2799831) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 4-chloro-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-N-pyrazin-2-ylbenzamide
PubChem CID2799831
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name4-chloro-N-pyrazin-2-ylbenzamide
SMILESO=C(Nc1cnccn1)c1ccc(Cl)cc1
InChIInChI=1S/C11H8ClN3O/c12-9-3-1-8(2-4-9)11(16)15-10-7-13-5-6-14-10/h1-7H,(H,14,15,16)
InChIKeyLWTIAYDDQRFEMY-UHFFFAOYSA-N
XLogP2.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2842664
2-(4-chlorophenyl)-N-(5-chloropyridin-2-yl)acetamide
CID 669846
2-(4-chlorophenyl)-N-(pyridin-2-yl)acetamide
CID 670085
3-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2848220
N-(4-chlorobenzyl)-2,2-dimethyl-N-(2-pyrazinyl)propanamide
CID 4563418
Benzamide, N-(5-chloro-2-pyridinyl)-2-fluoro-
CID 36851
2-chloro-4,5-difluoro-N-(5-methylpyridin-2-yl)benzamide
CID 878799
2-(4-chlorophenyl)-N-(4-chloropyridin-2-yl)acetamide
CID 898875
2-(4-chlorophenyl)-N-(5-methylpyridin-2-yl)acetamide
CID 903280
4-chloro-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzamide
CID 2768252
3,4-Dichloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2931317
N-((5-chloropyridin-2-yl)carbamoyl)benzamide
CID 2987279

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pyrazin-2-ylbenzamide?
The IUPAC name of 4-chloro-N-pyrazin-2-ylbenzamide (CID 2799831) is 4-chloro-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 4-chloro-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 4-chloro-N-pyrazin-2-ylbenzamide is O=C(Nc1cnccn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-pyrazin-2-ylbenzamide?
The InChIKey is LWTIAYDDQRFEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-9-3-1-8(2-4-9)11(16)15-10-7-13-5-6-14-10/h1-7H,(H,14,15,16).
What are the key properties of 4-chloro-N-pyrazin-2-ylbenzamide?
4-chloro-N-pyrazin-2-ylbenzamide has a molecular weight of 233.66 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 2799831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).