N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide

C14H12ClN3O4 — CID 4817106

IUPACN-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])n1
InChIInChI=1S/C14H12ClN3O4/c1-9-2-7-12(14(16-9)18(20)21)22-8-13(19)17-11-5-3-10(15)4-6-11/h2-7H,8H2,1H3,(H,17,19)
InChIKeyPBLTZGOKLODIRG-UHFFFAOYSA-N
MW321.72 g/mol
LogP2.97
Rot. Bonds5

About N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide

N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 4817106) has the molecular formula C14H12ClN3O4 and a molecular weight of 321.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID4817106
Molecular FormulaC14H12ClN3O4
Molecular Weight321.72 g/mol
Exact Mass321.05
IUPAC NameN-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])n1
InChIInChI=1S/C14H12ClN3O4/c1-9-2-7-12(14(16-9)18(20)21)22-8-13(19)17-11-5-3-10(15)4-6-11/h2-7H,8H2,1H3,(H,17,19)
InChIKeyPBLTZGOKLODIRG-UHFFFAOYSA-N
XLogP2.97
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 52.97
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-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (CID 4817106) is N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is PBLTZGOKLODIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4/c1-9-2-7-12(14(16-9)18(20)21)22-8-13(19)17-11-5-3-10(15)4-6-11/h2-7H,8H2,1H3,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 321.72 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 4817106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).