N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide

C15H12Cl2N2O2S — CID 1014402

IUPACN-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC(=S)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H12Cl2N2O2S/c16-10-6-11(17)8-12(7-10)18-15(22)19-14(20)9-21-13-4-2-1-3-5-13/h1-8H,9H2,(H2,18,19,20,22)
InChIKeyAOLBFHBVWCQPBH-UHFFFAOYSA-N
MW355.25 g/mol
LogP3.89
Rot. Bonds4

About N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide

N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide (PubChem CID 1014402) has the molecular formula C15H12Cl2N2O2S and a molecular weight of 355.25 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide
PubChem CID1014402
Molecular FormulaC15H12Cl2N2O2S
Molecular Weight355.25 g/mol
Exact Mass354.00
IUPAC NameN-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC(=S)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H12Cl2N2O2S/c16-10-6-11(17)8-12(7-10)18-15(22)19-14(20)9-21-13-4-2-1-3-5-13/h1-8H,9H2,(H2,18,19,20,22)
InChIKeyAOLBFHBVWCQPBH-UHFFFAOYSA-N
XLogP3.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dichlorophenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188390
N-[(3-methylphenyl)carbamothioyl]-2-phenoxyacetamide
CID 769592
methyl 4-[(2-phenoxyacetyl)carbamothioylamino]benzoate
CID 692113
2-[4-[(2-phenoxyacetyl)carbamothioylamino]phenyl]acetic acid
CID 28688595
N-(3,5-dichlorophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926056
2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide
CID 4630939
2-(4-chlorophenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide
CID 1014420
N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-2-phenoxyacetamide
CID 3954462
3-chloro-5-[(2-phenoxyacetyl)amino]benzamide
CID 154872841
N-(3,5-dichlorophenyl)-3-phenoxypropanamide
CID 26591488
1-[[2-(3-chlorophenoxy)acetyl]amino]-3-phenylthiourea
CID 972409
2-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]-N-phenylbenzamide
CID 4632520

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide?
The IUPAC name of N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide (CID 1014402) is N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC(=S)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide?
The InChIKey is AOLBFHBVWCQPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2S/c16-10-6-11(17)8-12(7-10)18-15(22)19-14(20)9-21-13-4-2-1-3-5-13/h1-8H,9H2,(H2,18,19,20,22).
What are the key properties of N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide?
N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide has a molecular weight of 355.25 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide is sourced from PubChem (CID 1014402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).