N'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide

C23H19Cl2N3O3S — CID 4928309

IUPACN'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H19Cl2N3O3S/c24-15-11-12-19(16(25)14-15)31-13-5-10-22(29)26-27-23(30)28-17-6-1-3-8-20(17)32-21-9-4-2-7-18(21)28/h1-4,6-9,11-12,14H,5,10,13H2,(H,26,29)(H,27,30)
InChIKeyOQKZQUDNNWIFIF-UHFFFAOYSA-N
MW488.40 g/mol
LogP6.20
Rot. Bonds5

About N'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide

N'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide (PubChem CID 4928309) has the molecular formula C23H19Cl2N3O3S and a molecular weight of 488.40 g/mol. Its IUPAC name is N'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide
PubChem CID4928309
Molecular FormulaC23H19Cl2N3O3S
Molecular Weight488.40 g/mol
Exact Mass487.05
IUPAC NameN'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H19Cl2N3O3S/c24-15-11-12-19(16(25)14-15)31-13-5-10-22(29)26-27-23(30)28-17-6-1-3-8-20(17)32-21-9-4-2-7-18(21)28/h1-4,6-9,11-12,14H,5,10,13H2,(H,26,29)(H,27,30)
InChIKeyOQKZQUDNNWIFIF-UHFFFAOYSA-N
XLogP6.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.40
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide
CID 4943400
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
CID 3267153
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 5229244
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17355597
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
2-phenylethyl 4-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-4-oxobutanoate
CID 4946981
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
CID 3270892
4-(2,4-dichlorophenoxy)-N'-[2-(2,6-dimethylphenoxy)propanoyl]butanehydrazide
CID 4958695
4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide
CID 2227481

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide?
The IUPAC name of N'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide (CID 4928309) is N'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide.
What is the SMILES notation for N'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide?
The canonical SMILES for N'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide is O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of N'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide?
The InChIKey is OQKZQUDNNWIFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O3S/c24-15-11-12-19(16(25)14-15)31-13-5-10-22(29)26-27-23(30)28-17-6-1-3-8-20(17)32-21-9-4-2-7-18(21)28/h1-4,6-9,11-12,14H,5,10,13H2,(H,26,29)(H,27,30).
What are the key properties of N'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide?
N'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide has a molecular weight of 488.40 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide is sourced from PubChem (CID 4928309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).