N-(3,5-dimethoxy-2-nitrophenyl)-2-oxo-2-phenylacetamide

C16H14N2O6 — CID 10830256

IUPACN-(3,5-dimethoxy-2-nitrophenyl)-2-oxo-2-phenylacetamide
SMILESCOc1cc(NC(=O)C(=O)c2ccccc2)c([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C16H14N2O6/c1-23-11-8-12(14(18(21)22)13(9-11)24-2)17-16(20)15(19)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,20)
InChIKeyBWWOOEMDYIHIEP-UHFFFAOYSA-N
MW330.30 g/mol
LogP2.43
Rot. Bonds6

About N-(3,5-dimethoxy-2-nitrophenyl)-2-oxo-2-phenylacetamide

N-(3,5-dimethoxy-2-nitrophenyl)-2-oxo-2-phenylacetamide (PubChem CID 10830256) has the molecular formula C16H14N2O6 and a molecular weight of 330.30 g/mol. Its IUPAC name is N-(3,5-dimethoxy-2-nitrophenyl)-2-oxo-2-phenylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxy-2-nitrophenyl)-2-oxo-2-phenylacetamide
PubChem CID10830256
Molecular FormulaC16H14N2O6
Molecular Weight330.30 g/mol
Exact Mass330.09
IUPAC NameN-(3,5-dimethoxy-2-nitrophenyl)-2-oxo-2-phenylacetamide
SMILESCOc1cc(NC(=O)C(=O)c2ccccc2)c([N+](=O)[O-])c(OC)c1
InChIInChI=1S/C16H14N2O6/c1-23-11-8-12(14(18(21)22)13(9-11)24-2)17-16(20)15(19)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,20)
InChIKeyBWWOOEMDYIHIEP-UHFFFAOYSA-N
XLogP2.43
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxy-2-nitrophenyl)-2-oxo-2-phenylacetamide?
The IUPAC name of N-(3,5-dimethoxy-2-nitrophenyl)-2-oxo-2-phenylacetamide (CID 10830256) is N-(3,5-dimethoxy-2-nitrophenyl)-2-oxo-2-phenylacetamide.
What is the SMILES notation for N-(3,5-dimethoxy-2-nitrophenyl)-2-oxo-2-phenylacetamide?
The canonical SMILES for N-(3,5-dimethoxy-2-nitrophenyl)-2-oxo-2-phenylacetamide is COc1cc(NC(=O)C(=O)c2ccccc2)c([N+](=O)[O-])c(OC)c1.
What is the InChIKey of N-(3,5-dimethoxy-2-nitrophenyl)-2-oxo-2-phenylacetamide?
The InChIKey is BWWOOEMDYIHIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6/c1-23-11-8-12(14(18(21)22)13(9-11)24-2)17-16(20)15(19)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,20).
What are the key properties of N-(3,5-dimethoxy-2-nitrophenyl)-2-oxo-2-phenylacetamide?
N-(3,5-dimethoxy-2-nitrophenyl)-2-oxo-2-phenylacetamide has a molecular weight of 330.30 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxy-2-nitrophenyl)-2-oxo-2-phenylacetamide is sourced from PubChem (CID 10830256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).