N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C13H9ClFN3O4 — CID 7890392

IUPACN-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H9ClFN3O4/c14-8-1-3-11(10(15)5-8)16-12(19)7-17-6-9(18(21)22)2-4-13(17)20/h1-6H,7H2,(H,16,19)
InChIKeyPYKXSGOUJPTECK-UHFFFAOYSA-N
MW325.68 g/mol
LogP2.19
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 7890392) has the molecular formula C13H9ClFN3O4 and a molecular weight of 325.68 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID7890392
Molecular FormulaC13H9ClFN3O4
Molecular Weight325.68 g/mol
Exact Mass325.03
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H9ClFN3O4/c14-8-1-3-11(10(15)5-8)16-12(19)7-17-6-9(18(21)22)2-4-13(17)20/h1-6H,7H2,(H,16,19)
InChIKeyPYKXSGOUJPTECK-UHFFFAOYSA-N
XLogP2.19
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.68
LogP ≤ 52.19
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-(5-nitro-2-oxo-1-pyridinyl)-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 31140109
N-(4-chloro-2-fluorophenyl)-2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]acetamide
CID 16552949
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-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890150
N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 30238544
2-(5-amino-2-oxo-1-pyridinyl)-N-(2,4-difluorophenyl)acetamide
CID 62815111
N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890242
N-(2-methoxy-4-nitrophenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277764
N-(2-chlorophenyl)-2-[4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperazin-1-yl]acetamide
CID 55732995
N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118
N-(3-methylsulfanylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 18084983

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 7890392) is N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is PYKXSGOUJPTECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O4/c14-8-1-3-11(10(15)5-8)16-12(19)7-17-6-9(18(21)22)2-4-13(17)20/h1-6H,7H2,(H,16,19).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 325.68 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 7890392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).