2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide

C11H8ClN5O3 — CID 107200117

IUPAC2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide
SMILESNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)Nc1cnccn1
InChIInChI=1S/C11H8ClN5O3/c12-8-4-6(17(19)20)3-7(10(8)13)11(18)16-9-5-14-1-2-15-9/h1-5H,13H2,(H,15,16,18)
InChIKeyNKMJZLNLHJRCMZ-UHFFFAOYSA-N
MW293.67 g/mol
LogP1.87
Rot. Bonds3

About 2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide

2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide (PubChem CID 107200117) has the molecular formula C11H8ClN5O3 and a molecular weight of 293.67 g/mol. Its IUPAC name is 2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide
PubChem CID107200117
Molecular FormulaC11H8ClN5O3
Molecular Weight293.67 g/mol
Exact Mass293.03
IUPAC Name2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide
SMILESNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)Nc1cnccn1
InChIInChI=1S/C11H8ClN5O3/c12-8-4-6(17(19)20)3-7(10(8)13)11(18)16-9-5-14-1-2-15-9/h1-5H,13H2,(H,15,16,18)
InChIKeyNKMJZLNLHJRCMZ-UHFFFAOYSA-N
XLogP1.87
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide
CID 107200538
2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide
CID 107199933
2-amino-3-chloro-N-methyl-5-nitrobenzamide
CID 107199890
2-amino-3-chloro-5-nitro-N-phenylbenzamide
CID 107199870
2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide
CID 107189329
3-chloro-4-nitro-N-pyrazin-2-ylbenzamide
CID 82781781
2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide
CID 107200431
2-chloro-5-hydroxy-N-pyrazin-2-ylbenzamide
CID 106501440
2-amino-4-chloro-N-pyrazin-2-ylbenzamide
CID 43616024
2-amino-3-chloro-5-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 107200381
2-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzamide
CID 107200617
2-amino-3-chloro-N-hexan-3-yl-5-nitrobenzamide
CID 107200144

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide?
The IUPAC name of 2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide (CID 107200117) is 2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide is Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)Nc1cnccn1.
What is the InChIKey of 2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide?
The InChIKey is NKMJZLNLHJRCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O3/c12-8-4-6(17(19)20)3-7(10(8)13)11(18)16-9-5-14-1-2-15-9/h1-5H,13H2,(H,15,16,18).
What are the key properties of 2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide?
2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide has a molecular weight of 293.67 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 107200117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).