N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide

C14H12ClN3O4 — CID 8560744

IUPACN-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccnc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12ClN3O4/c1-9-4-5-12(11(7-9)18(20)21)22-8-13(19)17-10-3-2-6-16-14(10)15/h2-7H,8H2,1H3,(H,17,19)
InChIKeyXMWMOKAYRLRSDW-UHFFFAOYSA-N
MW321.72 g/mol
LogP2.97
Rot. Bonds5

About N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide

N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide (PubChem CID 8560744) has the molecular formula C14H12ClN3O4 and a molecular weight of 321.72 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide
PubChem CID8560744
Molecular FormulaC14H12ClN3O4
Molecular Weight321.72 g/mol
Exact Mass321.05
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccnc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H12ClN3O4/c1-9-4-5-12(11(7-9)18(20)21)22-8-13(19)17-10-3-2-6-16-14(10)15/h2-7H,8H2,1H3,(H,17,19)
InChIKeyXMWMOKAYRLRSDW-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 823681
2-(4-methyl-2-nitrophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 8538741
5-hydroxy-2-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]benzoic acid
CID 17296562
2-(4-chloro-2-nitrophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 26216842
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 934072
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 36643198
N-(2-chloro-3-pyridinyl)-2-(2,3-dimethylphenoxy)acetamide
CID 17099005
N-(4-acetylphenyl)-2-(4-methyl-2-nitrophenoxy)acetamide
CID 8559480
N-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7569129
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(4-methyl-2-nitrophenyl)acetamide
CID 24578657

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide (CID 8560744) is N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cccnc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide?
The InChIKey is XMWMOKAYRLRSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4/c1-9-4-5-12(11(7-9)18(20)21)22-8-13(19)17-10-3-2-6-16-14(10)15/h2-7H,8H2,1H3,(H,17,19).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide?
N-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)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-(2-chloro-3-pyridinyl)-2-(4-methyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 8560744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).