N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C15H14ClN3O4 — CID 7890150

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(Cl)c1
InChIInChI=1S/C15H14ClN3O4/c1-9-5-10(2)15(12(16)6-9)17-13(20)8-18-7-11(19(22)23)3-4-14(18)21/h3-7H,8H2,1-2H3,(H,17,20)
InChIKeySJOVISLEWSTJSH-UHFFFAOYSA-N
MW335.75 g/mol
LogP2.67
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 7890150) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID7890150
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(Cl)c1
InChIInChI=1S/C15H14ClN3O4/c1-9-5-10(2)15(12(16)6-9)17-13(20)8-18-7-11(19(22)23)3-4-14(18)21/h3-7H,8H2,1-2H3,(H,17,20)
InChIKeySJOVISLEWSTJSH-UHFFFAOYSA-N
XLogP2.67
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 52.67
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-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890319
N-(4-chloro-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890392
N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890242
N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide
CID 2673711
N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 30238544
N-(2-ethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890330
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890090
methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate
CID 24609516
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
N-[3-(aminomethyl)pentan-3-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119571533

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 7890150) is N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is Cc1cc(C)c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is SJOVISLEWSTJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c1-9-5-10(2)15(12(16)6-9)17-13(20)8-18-7-11(19(22)23)3-4-14(18)21/h3-7H,8H2,1-2H3,(H,17,20).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 335.75 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 7890150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).