2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide

C13H7Cl4N3O4 — CID 31140109

IUPAC2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H7Cl4N3O4/c14-7-3-8(15)12(17)13(11(7)16)18-9(21)5-19-4-6(20(23)24)1-2-10(19)22/h1-4H,5H2,(H,18,21)
InChIKeyDSWLDWIXJMKXPN-UHFFFAOYSA-N
MW411.03 g/mol
LogP4.01
Rot. Bonds4

About 2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide

2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide (PubChem CID 31140109) has the molecular formula C13H7Cl4N3O4 and a molecular weight of 411.03 g/mol. Its IUPAC name is 2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide
PubChem CID31140109
Molecular FormulaC13H7Cl4N3O4
Molecular Weight411.03 g/mol
Exact Mass408.92
IUPAC Name2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H7Cl4N3O4/c14-7-3-8(15)12(17)13(11(7)16)18-9(21)5-19-4-6(20(23)24)1-2-10(19)22/h1-4H,5H2,(H,18,21)
InChIKeyDSWLDWIXJMKXPN-UHFFFAOYSA-N
XLogP4.01
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.03
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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

N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890150
N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890392
N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890319
N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890242
N-(2-cyanophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467854
N-(2-ethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890330
N-(3-methylsulfanylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 18084983
N-[(2R)-butan-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467794
2-[4-(3-nitrophenyl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 55843110
N-[3-(aminomethyl)pentan-3-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119571533
N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide
CID 55732995
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 52684518

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The IUPAC name of 2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide (CID 31140109) is 2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide.
What is the SMILES notation for 2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The canonical SMILES for 2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide is O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The InChIKey is DSWLDWIXJMKXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4N3O4/c14-7-3-8(15)12(17)13(11(7)16)18-9(21)5-19-4-6(20(23)24)1-2-10(19)22/h1-4H,5H2,(H,18,21).
What are the key properties of 2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide?
2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide has a molecular weight of 411.03 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide is sourced from PubChem (CID 31140109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).