2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide

C12H8ClN5O4 — CID 20567047

IUPAC2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cnc([N+](=O)[O-])cn1
InChIInChI=1S/C12H8ClN5O4/c13-8-4-2-1-3-7(8)11(19)17-12(20)16-9-5-15-10(6-14-9)18(21)22/h1-6H,(H2,14,16,17,19,20)
InChIKeyJQNIDYUACYFXMJ-UHFFFAOYSA-N
MW321.68 g/mol
LogP2.00
Rot. Bonds3

About 2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide

2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide (PubChem CID 20567047) has the molecular formula C12H8ClN5O4 and a molecular weight of 321.68 g/mol. Its IUPAC name is 2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide
PubChem CID20567047
Molecular FormulaC12H8ClN5O4
Molecular Weight321.68 g/mol
Exact Mass321.03
IUPAC Name2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cnc([N+](=O)[O-])cn1
InChIInChI=1S/C12H8ClN5O4/c13-8-4-2-1-3-7(8)11(19)17-12(20)16-9-5-15-10(6-14-9)18(21)22/h1-6H,(H2,14,16,17,19,20)
InChIKeyJQNIDYUACYFXMJ-UHFFFAOYSA-N
XLogP2.00
TPSA127.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.68
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[5-(4-chlorophenyl)pyrazin-2-yl]carbamoyl]benzamide
CID 13341093
N-[[5-(4-bromophenyl)-6-chloropyrazin-2-yl]carbamoyl]-2-chlorobenzamide
CID 13341092
2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide
CID 21313073
2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083
2-chloro-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide
CID 881777
2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide
CID 13341085
N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide
CID 21313103
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 3289911
2-chloro-N-isoquinolin-3-ylbenzamide
CID 5237288
2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide
CID 13341094
N-(5-acetamido-2-pyridinyl)-2-chlorobenzamide
CID 1449171

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide (CID 20567047) is 2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1cnc([N+](=O)[O-])cn1.
What is the InChIKey of 2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide?
The InChIKey is JQNIDYUACYFXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5O4/c13-8-4-2-1-3-7(8)11(19)17-12(20)16-9-5-15-10(6-14-9)18(21)22/h1-6H,(H2,14,16,17,19,20).
What are the key properties of 2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide?
2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide has a molecular weight of 321.68 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-nitropyrazin-2-yl)carbamoyl]benzamide is sourced from PubChem (CID 20567047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).