2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide

C15H13N3O6 — CID 19237183

IUPAC2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O6/c1-10-8-13(18(22)23)6-7-14(10)24-9-15(19)16-11-2-4-12(5-3-11)17(20)21/h2-8H,9H2,1H3,(H,16,19)
InChIKeyNFSXIALVLZJMJX-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.83
Rot. Bonds6

About 2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide

2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide (PubChem CID 19237183) has the molecular formula C15H13N3O6 and a molecular weight of 331.28 g/mol. Its IUPAC name is 2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
PubChem CID19237183
Molecular FormulaC15H13N3O6
Molecular Weight331.28 g/mol
Exact Mass331.08
IUPAC Name2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O6/c1-10-8-13(18(22)23)6-7-14(10)24-9-15(19)16-11-2-4-12(5-3-11)17(20)21/h2-8H,9H2,1H3,(H,16,19)
InChIKeyNFSXIALVLZJMJX-UHFFFAOYSA-N
XLogP2.83
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.83
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'}

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Related Compounds

methyl 4-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoate
CID 1406620
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
3-[[2-(2-methyl-4-nitrophenoxy)acetyl]amino]benzoic acid
CID 53264010
N-(2,4-dimethylphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406594
2-(2,4-dimethylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 3477288
2-(2-methyl-4-nitrophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1406683
N-tert-butyl-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406582
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406605
2-(4-bromo-2-methylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 5208698
N-(4-nitrophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 2791138
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide (CID 19237183) is 2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide is Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide?
The InChIKey is NFSXIALVLZJMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O6/c1-10-8-13(18(22)23)6-7-14(10)24-9-15(19)16-11-2-4-12(5-3-11)17(20)21/h2-8H,9H2,1H3,(H,16,19).
What are the key properties of 2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide?
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide has a molecular weight of 331.28 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 19237183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).