N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide

C11H6ClFN4O3 — CID 102989137

IUPACN-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide
SMILESO=C(Nc1nccnc1Cl)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H6ClFN4O3/c12-9-10(15-4-3-14-9)16-11(18)7-2-1-6(17(19)20)5-8(7)13/h1-5H,(H,15,16,18)
InChIKeyCIXLTXZDFHMHRR-UHFFFAOYSA-N
MW296.65 g/mol
LogP2.43
Rot. Bonds3

About N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide

N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide (PubChem CID 102989137) has the molecular formula C11H6ClFN4O3 and a molecular weight of 296.65 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide
PubChem CID102989137
Molecular FormulaC11H6ClFN4O3
Molecular Weight296.65 g/mol
Exact Mass296.01
IUPAC NameN-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide
SMILESO=C(Nc1nccnc1Cl)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C11H6ClFN4O3/c12-9-10(15-4-3-14-9)16-11(18)7-2-1-6(17(19)20)5-8(7)13/h1-5H,(H,15,16,18)
InChIKeyCIXLTXZDFHMHRR-UHFFFAOYSA-N
XLogP2.43
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.65
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 17102140
N-(2-bromo-3-pyridinyl)-2-fluoro-4-nitrobenzamide
CID 103819257
N-(3-chloropyrazin-2-yl)-5-methyl-2-nitrobenzamide
CID 102989237
N-(3-chloro-4-hydroxyphenyl)-2-fluoro-4-nitrobenzamide
CID 63948000
N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide
CID 127502598
2-chloro-N-(3-methyl-2-pyridinyl)-4-nitrobenzamide
CID 3273580
2-fluoro-4-nitrobenzoyl chloride
CID 10420435
N-(3-chloropyrazin-2-yl)-2-(3-nitrophenyl)acetamide
CID 102989201
5-chloro-N-(3-chloropyrazin-2-yl)-2-methylbenzamide
CID 102989278
N-cyclopentyl-2-fluoro-4-nitrobenzamide
CID 61037803
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide
CID 59672710
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide (CID 102989137) is N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide is O=C(Nc1nccnc1Cl)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide?
The InChIKey is CIXLTXZDFHMHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4O3/c12-9-10(15-4-3-14-9)16-11(18)7-2-1-6(17(19)20)5-8(7)13/h1-5H,(H,15,16,18).
What are the key properties of N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide?
N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide has a molecular weight of 296.65 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide is sourced from PubChem (CID 102989137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).