4-[methyl(oxido)amino]benzoyl chloride

C8H7ClNO2- — CID 163615508

IUPAC4-[methyl(oxido)amino]benzoyl chloride
SMILESCN([O-])c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C8H7ClNO2/c1-10(12)7-4-2-6(3-5-7)8(9)11/h2-5H,1H3/q-1
InChIKeyVEKXUCIETGYKPC-UHFFFAOYSA-N
MW184.60 g/mol
LogP2.00
Rot. Bonds2

About 4-[methyl(oxido)amino]benzoyl chloride

4-[methyl(oxido)amino]benzoyl chloride (PubChem CID 163615508) has the molecular formula C8H7ClNO2- and a molecular weight of 184.60 g/mol. Its IUPAC name is 4-[methyl(oxido)amino]benzoyl chloride.

Molecular Properties

Compound Name4-[methyl(oxido)amino]benzoyl chloride
PubChem CID163615508
Molecular FormulaC8H7ClNO2-
Molecular Weight184.60 g/mol
Exact Mass184.02
IUPAC Name4-[methyl(oxido)amino]benzoyl chloride
SMILESCN([O-])c1ccc(C(=O)Cl)cc1
InChIInChI=1S/C8H7ClNO2/c1-10(12)7-4-2-6(3-5-7)8(9)11/h2-5H,1H3/q-1
InChIKeyVEKXUCIETGYKPC-UHFFFAOYSA-N
XLogP2.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.60
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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 4-[methyl(oxido)amino]benzoyl chloride?
The IUPAC name of 4-[methyl(oxido)amino]benzoyl chloride (CID 163615508) is 4-[methyl(oxido)amino]benzoyl chloride.
What is the SMILES notation for 4-[methyl(oxido)amino]benzoyl chloride?
The canonical SMILES for 4-[methyl(oxido)amino]benzoyl chloride is CN([O-])c1ccc(C(=O)Cl)cc1.
What is the InChIKey of 4-[methyl(oxido)amino]benzoyl chloride?
The InChIKey is VEKXUCIETGYKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClNO2/c1-10(12)7-4-2-6(3-5-7)8(9)11/h2-5H,1H3/q-1.
What are the key properties of 4-[methyl(oxido)amino]benzoyl chloride?
4-[methyl(oxido)amino]benzoyl chloride has a molecular weight of 184.60 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxido)amino]benzoyl chloride is sourced from PubChem (CID 163615508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).