N-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C14H11Cl2N3O4 — CID 7890131

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O4/c15-10-2-1-9(12(16)5-10)6-17-13(20)8-18-7-11(19(22)23)3-4-14(18)21/h1-5,7H,6,8H2,(H,17,20)
InChIKeyIBBQVDWFCSFESJ-UHFFFAOYSA-N
MW356.17 g/mol
LogP2.38
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 7890131) has the molecular formula C14H11Cl2N3O4 and a molecular weight of 356.17 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID7890131
Molecular FormulaC14H11Cl2N3O4
Molecular Weight356.17 g/mol
Exact Mass355.01
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O4/c15-10-2-1-9(12(16)5-10)6-17-13(20)8-18-7-11(19(22)23)3-4-14(18)21/h1-5,7H,6,8H2,(H,17,20)
InChIKeyIBBQVDWFCSFESJ-UHFFFAOYSA-N
XLogP2.38
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 7890131) is N-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is IBBQVDWFCSFESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O4/c15-10-2-1-9(12(16)5-10)6-17-13(20)8-18-7-11(19(22)23)3-4-14(18)21/h1-5,7H,6,8H2,(H,17,20).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 356.17 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 7890131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).