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

C15H14ClN3O5 — CID 4817365

IUPACN-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H14ClN3O5/c1-9-3-5-13(15(17-9)19(21)22)24-8-14(20)18-10-4-6-12(23-2)11(16)7-10/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyYNGJTSGKKPHDGL-UHFFFAOYSA-N
MW351.75 g/mol
LogP2.98
Rot. Bonds6

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

N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (PubChem CID 4817365) has the molecular formula C15H14ClN3O5 and a molecular weight of 351.75 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
PubChem CID4817365
Molecular FormulaC15H14ClN3O5
Molecular Weight351.75 g/mol
Exact Mass351.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C15H14ClN3O5/c1-9-3-5-13(15(17-9)19(21)22)24-8-14(20)18-10-4-6-12(23-2)11(16)7-10/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyYNGJTSGKKPHDGL-UHFFFAOYSA-N
XLogP2.98
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]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

N-(3-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 4818074
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-N-(2,4,5-trichlorophenyl)acetamide
CID 4587350
N-[4-(dimethylamino)phenyl]-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide
CID 3969167
2-(4-chloro-2-methylphenoxy)-N-(4-methoxy-3-nitrophenyl)acetamide
CID 17101974
N-(3-chloro-4-methoxyphenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7695455
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 2712886
4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397187
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-nitrobenzoate
CID 2715200
N-(3-chloro-4-methoxyphenyl)-2-(2-ethylphenoxy)acetamide
CID 2709417
N-(3-chloro-4-methoxyphenyl)-3-methoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]benzamide
CID 16546266
N-(5-acetamido-2-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)acetamide
CID 8587959
2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-(2,4,5-trimethylphenyl)ethanone
CID 4039175

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide (CID 4817365) is N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is COc1ccc(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
The InChIKey is YNGJTSGKKPHDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5/c1-9-3-5-13(15(17-9)19(21)22)24-8-14(20)18-10-4-6-12(23-2)11(16)7-10/h3-7H,8H2,1-2H3,(H,18,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide has a molecular weight of 351.75 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 4817365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).