2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide

C14H12ClN3O4 — CID 4047149

IUPAC2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cn2)ccc1Cl
InChIInChI=1S/C14H12ClN3O4/c1-9-6-11(3-4-12(9)15)22-8-14(19)17-13-5-2-10(7-16-13)18(20)21/h2-7H,8H2,1H3,(H,16,17,19)
InChIKeyXSNMWHQLVCVAEI-UHFFFAOYSA-N
MW321.72 g/mol
LogP2.97
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide (PubChem CID 4047149) has the molecular formula C14H12ClN3O4 and a molecular weight of 321.72 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide
PubChem CID4047149
Molecular FormulaC14H12ClN3O4
Molecular Weight321.72 g/mol
Exact Mass321.05
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cn2)ccc1Cl
InChIInChI=1S/C14H12ClN3O4/c1-9-6-11(3-4-12(9)15)22-8-14(19)17-13-5-2-10(7-16-13)18(20)21/h2-7H,8H2,1H3,(H,16,17,19)
InChIKeyXSNMWHQLVCVAEI-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'}

Analyze 2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 883750
2-(4-chloro-3-methylphenoxy)-N-(2-chloro-4-nitrophenyl)acetamide
CID 23770306
N-(5-bromo-2-pyridinyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 1224606
2-(4-chloro-3-methylphenoxy)-N-pyridin-2-ylacetamide
CID 883765
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
methyl 3-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamoyl]-5-nitrobenzoate
CID 18209878
2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 17012560
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 918188
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-pyridin-2-ylbenzamide
CID 30335947
2-(4-chloro-3-methylphenoxy)-N-(3-hydroxy-2-pyridinyl)acetamide
CID 18109443

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide (CID 4047149) is 2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide is Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cn2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide?
The InChIKey is XSNMWHQLVCVAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4/c1-9-6-11(3-4-12(9)15)22-8-14(19)17-13-5-2-10(7-16-13)18(20)21/h2-7H,8H2,1H3,(H,16,17,19).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)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 2-(4-chloro-3-methylphenoxy)-N-(5-nitro-2-pyridinyl)acetamide is sourced from PubChem (CID 4047149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).