N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide

C19H18Cl2N2O2S — CID 126248488

IUPACN-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(=S)N2CCCC2)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O2S/c20-14-5-8-17(16(21)11-14)22-18(24)12-25-15-6-3-13(4-7-15)19(26)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2,(H,22,24)
InChIKeyWSUPMRCBUKTBED-UHFFFAOYSA-N
MW409.34 g/mol
LogP4.78
Rot. Bonds5

About N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide

N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide (PubChem CID 126248488) has the molecular formula C19H18Cl2N2O2S and a molecular weight of 409.34 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
PubChem CID126248488
Molecular FormulaC19H18Cl2N2O2S
Molecular Weight409.34 g/mol
Exact Mass408.05
IUPAC NameN-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(=S)N2CCCC2)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H18Cl2N2O2S/c20-14-5-8-17(16(21)11-14)22-18(24)12-25-15-6-3-13(4-7-15)19(26)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2,(H,22,24)
InChIKeyWSUPMRCBUKTBED-UHFFFAOYSA-N
XLogP4.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidine-1-carbothioyl)phenoxy]acetamide
CID 126236353
2-[4-(4-benzylpiperazine-1-carbothioyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126273947
N-(3,4-dichlorophenyl)-2-[4-(piperidine-1-carbothioyl)phenoxy]acetamide
CID 126227959
N-(5-chloro-2-methylphenyl)-2-[4-(morpholine-4-carbothioyl)phenoxy]acetamide
CID 126259552
N-(2-chlorophenyl)-2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]acetamide
CID 126252562
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
N-(2,4-dichlorophenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 2515961
N-(4-fluorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 2204732
N-(3-methylphenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126234591
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749
N-(5-chloro-2-methylphenyl)-2-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbothioyl]phenoxy]acetamide
CID 126240587
N-(2,4-dichlorophenyl)-2-(4-octoxyphenoxy)acetamide
CID 4733017

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide (CID 126248488) is N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide is O=C(COc1ccc(C(=S)N2CCCC2)cc1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide?
The InChIKey is WSUPMRCBUKTBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2S/c20-14-5-8-17(16(21)11-14)22-18(24)12-25-15-6-3-13(4-7-15)19(26)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2,(H,22,24).
What are the key properties of N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide?
N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide has a molecular weight of 409.34 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide is sourced from PubChem (CID 126248488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).