phenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride

C21H15Cl2NO3S — CID 88803473

IUPACphenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride
SMILESO=C(Cl)COc1ccccc1.O=C(Cl)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C13H8ClNOS.C8H7ClO2/c14-13(16)15-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)15;9-8(10)6-11-7-4-2-1-3-5-7/h1-8H;1-5H,6H2
InChIKeyDQFKJKOMUYZADT-UHFFFAOYSA-N
MW432.33 g/mol
LogP6.48
Rot. Bonds3

About phenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride

phenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride (PubChem CID 88803473) has the molecular formula C21H15Cl2NO3S and a molecular weight of 432.33 g/mol. Its IUPAC name is phenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride.

Molecular Properties

Compound Namephenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride
PubChem CID88803473
Molecular FormulaC21H15Cl2NO3S
Molecular Weight432.33 g/mol
Exact Mass431.01
IUPAC Namephenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride
SMILESO=C(Cl)COc1ccccc1.O=C(Cl)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C13H8ClNOS.C8H7ClO2/c14-13(16)15-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)15;9-8(10)6-11-7-4-2-1-3-5-7/h1-8H;1-5H,6H2
InChIKeyDQFKJKOMUYZADT-UHFFFAOYSA-N
XLogP6.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.33
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze phenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(3,5-dimethylphenoxy)acetyl]phenothiazine-10-carbohydrazide
CID 4928252
methyl 10-carbonochloridoylphenothiazine-3-carboxylate
CID 154117249
2-(2-oxo-2-phenothiazin-10-ylethoxy)benzoic acid
CID 23740235
N-[4-(1-oxo-1-phenothiazin-10-ylbutan-2-yl)sulfanylphenyl]-2-phenoxyacetamide
CID 21168004
2-oxo-3-phenoxypropanoic acid
CID 18994126
methylamino phenothiazine-10-carboxylate;hydrochloride
CID 16680311
3-bromo-1-phenothiazin-10-ylpropan-1-one
CID 3487991
chloromethane;2-phenoxyacetic acid
CID 157255542
imidazolidine-2,4-dione;2-phenoxyacetyl chloride
CID 160838277
1-[(2E)-2-(1-sulfanylethylidene)-1,3-benzothiazol-3-yl]ethanone
CID 163654376
2-phenoxyacetic acid;titanium
CID 174896747
(2-oxo-2-phenothiazin-10-ylethyl) 3-methoxybenzoate
CID 8009407

Frequently Asked Questions

What is the IUPAC name of phenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride?
The IUPAC name of phenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride (CID 88803473) is phenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride.
What is the SMILES notation for phenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride?
The canonical SMILES for phenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride is O=C(Cl)COc1ccccc1.O=C(Cl)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of phenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride?
The InChIKey is DQFKJKOMUYZADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNOS.C8H7ClO2/c14-13(16)15-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)15;9-8(10)6-11-7-4-2-1-3-5-7/h1-8H;1-5H,6H2.
What are the key properties of phenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride?
phenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride has a molecular weight of 432.33 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenothiazine-10-carbonyl chloride;2-phenoxyacetyl chloride is sourced from PubChem (CID 88803473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).