2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide

C15H13N3O5 — CID 38858639

IUPAC2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O5/c16-15(20)10-5-1-4-8-13(10)23-9-14(19)17-11-6-2-3-7-12(11)18(21)22/h1-8H,9H2,(H2,16,20)(H,17,19)
InChIKeyQPPDLPPJQACRNP-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.71
Rot. Bonds6

About 2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide

2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide (PubChem CID 38858639) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide
PubChem CID38858639
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC Name2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide
SMILESNC(=O)c1ccccc1OCC(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O5/c16-15(20)10-5-1-4-8-13(10)23-9-14(19)17-11-6-2-3-7-12(11)18(21)22/h1-8H,9H2,(H2,16,20)(H,17,19)
InChIKeyQPPDLPPJQACRNP-UHFFFAOYSA-N
XLogP1.71
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide (CID 38858639) is 2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide is NC(=O)c1ccccc1OCC(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide?
The InChIKey is QPPDLPPJQACRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c16-15(20)10-5-1-4-8-13(10)23-9-14(19)17-11-6-2-3-7-12(11)18(21)22/h1-8H,9H2,(H2,16,20)(H,17,19).
What are the key properties of 2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide?
2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide has a molecular weight of 315.29 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-nitroanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 38858639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).