2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide

C15H13N3O6 — CID 4629043

IUPAC2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O6/c1-24-13-6-3-11(4-7-13)16-15(19)8-10-2-5-12(17(20)21)9-14(10)18(22)23/h2-7,9H,8H2,1H3,(H,16,19)
InChIKeyXZEDSTQGAVOPFX-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.69
Rot. Bonds6

About 2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide

2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide (PubChem CID 4629043) has the molecular formula C15H13N3O6 and a molecular weight of 331.28 g/mol. Its IUPAC name is 2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide
PubChem CID4629043
Molecular FormulaC15H13N3O6
Molecular Weight331.28 g/mol
Exact Mass331.08
IUPAC Name2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O6/c1-24-13-6-3-11(4-7-13)16-15(19)8-10-2-5-12(17(20)21)9-14(10)18(22)23/h2-7,9H,8H2,1H3,(H,16,19)
InChIKeyXZEDSTQGAVOPFX-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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

N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide
CID 3515824
N-(4-methoxyphenyl)-2-(8-nitronaphthalen-1-yl)acetamide
CID 10042619
2-(2,4-dinitrophenyl)-N-pyridin-3-ylacetamide
CID 4631764
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350
2-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 16913165
N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
CID 4296283
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
2-(4-methoxyphenyl)-N-[(4-nitrophenyl)carbamothioyl]acetamide
CID 2947308
3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 4189831
2-(2,4-dinitrophenyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 4628926
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide
CID 2958215

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide (CID 4629043) is 2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is XZEDSTQGAVOPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O6/c1-24-13-6-3-11(4-7-13)16-15(19)8-10-2-5-12(17(20)21)9-14(10)18(22)23/h2-7,9H,8H2,1H3,(H,16,19).
What are the key properties of 2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide?
2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 331.28 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenyl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 4629043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).