[2-[(2,5-dichlorobenzoyl)amino]acetyl]oxidanium

C9H8Cl2NO3+ — CID 147797111

IUPAC[2-[(2,5-dichlorobenzoyl)amino]acetyl]oxidanium
SMILESO=C([OH2+])CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2NO3/c10-5-1-2-7(11)6(3-5)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)/p+1
InChIKeyHKUAUZSWGMQPOK-UHFFFAOYSA-O
MW249.07 g/mol
LogP0.97
Rot. Bonds3

About [2-[(2,5-dichlorobenzoyl)amino]acetyl]oxidanium

[2-[(2,5-dichlorobenzoyl)amino]acetyl]oxidanium (PubChem CID 147797111) has the molecular formula C9H8Cl2NO3+ and a molecular weight of 249.07 g/mol. Its IUPAC name is [2-[(2,5-dichlorobenzoyl)amino]acetyl]oxidanium.

Molecular Properties

Compound Name[2-[(2,5-dichlorobenzoyl)amino]acetyl]oxidanium
PubChem CID147797111
Molecular FormulaC9H8Cl2NO3+
Molecular Weight249.07 g/mol
Exact Mass247.99
IUPAC Name[2-[(2,5-dichlorobenzoyl)amino]acetyl]oxidanium
SMILESO=C([OH2+])CNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H7Cl2NO3/c10-5-1-2-7(11)6(3-5)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)/p+1
InChIKeyHKUAUZSWGMQPOK-UHFFFAOYSA-O
XLogP0.97
TPSA69.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.07
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dichlorobenzoyl)amino]acetyl]oxidanium?
The IUPAC name of [2-[(2,5-dichlorobenzoyl)amino]acetyl]oxidanium (CID 147797111) is [2-[(2,5-dichlorobenzoyl)amino]acetyl]oxidanium.
What is the SMILES notation for [2-[(2,5-dichlorobenzoyl)amino]acetyl]oxidanium?
The canonical SMILES for [2-[(2,5-dichlorobenzoyl)amino]acetyl]oxidanium is O=C([OH2+])CNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of [2-[(2,5-dichlorobenzoyl)amino]acetyl]oxidanium?
The InChIKey is HKUAUZSWGMQPOK-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H7Cl2NO3/c10-5-1-2-7(11)6(3-5)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)/p+1.
What are the key properties of [2-[(2,5-dichlorobenzoyl)amino]acetyl]oxidanium?
[2-[(2,5-dichlorobenzoyl)amino]acetyl]oxidanium has a molecular weight of 249.07 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-dichlorobenzoyl)amino]acetyl]oxidanium is sourced from PubChem (CID 147797111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).