N-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide

C15H13Cl2N3O5 — CID 67451741

IUPACN-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(COc2ccc([N+](=O)[O-])c(Cl)c2Cl)ccn1
InChIInChI=1S/C15H13Cl2N3O5/c1-24-8-13(21)19-12-6-9(4-5-18-12)7-25-11-3-2-10(20(22)23)14(16)15(11)17/h2-6H,7-8H2,1H3,(H,18,19,21)
InChIKeySIJRGBZSVLZVKC-UHFFFAOYSA-N
MW386.19 g/mol
LogP3.46
Rot. Bonds7

About N-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide

N-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide (PubChem CID 67451741) has the molecular formula C15H13Cl2N3O5 and a molecular weight of 386.19 g/mol. Its IUPAC name is N-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide
PubChem CID67451741
Molecular FormulaC15H13Cl2N3O5
Molecular Weight386.19 g/mol
Exact Mass385.02
IUPAC NameN-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(COc2ccc([N+](=O)[O-])c(Cl)c2Cl)ccn1
InChIInChI=1S/C15H13Cl2N3O5/c1-24-8-13(21)19-12-6-9(4-5-18-12)7-25-11-3-2-10(20(22)23)14(16)15(11)17/h2-6H,7-8H2,1H3,(H,18,19,21)
InChIKeySIJRGBZSVLZVKC-UHFFFAOYSA-N
XLogP3.46
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.19
LogP ≤ 53.46
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-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide 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-[4-(hydroxymethyl)-2-pyridinyl]-2-methoxyacetamide
CID 82343554
2-methoxy-N-[4-[(5-methylquinolin-8-yl)oxymethyl]-2-pyridinyl]acetamide
CID 71242788
[2-[[4-(2,3-dichloro-4-nitrophenoxy)-2-pyridinyl]amino]-2-oxoethyl]-methylcarbamic acid
CID 121317007
N-[4-[[2,3-dichloro-4-[[2-(4-methoxyphenyl)-5-oxo-1H-pyrazol-3-yl]carbamoylamino]phenoxy]methyl]-2-pyridinyl]-2-methoxyacetamide
CID 130457716
2-methoxy-N-[4-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]acetamide
CID 70921732
N-[4-(methoxymethyl)-2-pyridinyl]acetamide
CID 59578573
2-methoxy-N-(4-methyl-2-pyridinyl)acetamide
CID 23657944
2-methoxy-N-(6-methyl-5-nitro-2-pyridinyl)acetamide
CID 67266270
2-[4-[(2,3-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide
CID 123900698
4-[(4-bromo-2-nitrophenoxy)methyl]-2-chloropyridine
CID 65429777
4-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine
CID 62466940
N,N-dimethyl-5-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazine-2-carboxamide;5-[[4-[(4-nitronaphthalen-1-yl)oxymethyl]-2-pyridinyl]amino]pyrazine-2-carboxylic acid
CID 160730087

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide (CID 67451741) is N-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide is COCC(=O)Nc1cc(COc2ccc([N+](=O)[O-])c(Cl)c2Cl)ccn1.
What is the InChIKey of N-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide?
The InChIKey is SIJRGBZSVLZVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O5/c1-24-8-13(21)19-12-6-9(4-5-18-12)7-25-11-3-2-10(20(22)23)14(16)15(11)17/h2-6H,7-8H2,1H3,(H,18,19,21).
What are the key properties of N-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide?
N-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide has a molecular weight of 386.19 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dichloro-4-nitrophenoxy)methyl]-2-pyridinyl]-2-methoxyacetamide is sourced from PubChem (CID 67451741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).