N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide

C15H12Cl2N2O2S — CID 3875315

IUPACN-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2O2S/c16-11-7-10(8-12(17)14(11)21)18-15(22)19-13(20)6-9-4-2-1-3-5-9/h1-5,7-8,21H,6H2,(H2,18,19,20,22)
InChIKeyQIDDYYSCMSGRBA-UHFFFAOYSA-N
MW355.25 g/mol
LogP3.75
Rot. Bonds3

About N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide

N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide (PubChem CID 3875315) has the molecular formula C15H12Cl2N2O2S and a molecular weight of 355.25 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
PubChem CID3875315
Molecular FormulaC15H12Cl2N2O2S
Molecular Weight355.25 g/mol
Exact Mass354.00
IUPAC NameN-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C15H12Cl2N2O2S/c16-11-7-10(8-12(17)14(11)21)18-15(22)19-13(20)6-9-4-2-1-3-5-9/h1-5,7-8,21H,6H2,(H2,18,19,20,22)
InChIKeyQIDDYYSCMSGRBA-UHFFFAOYSA-N
XLogP3.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide
CID 916501
N-[(4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide
CID 916513
4-chloro-3-[(2-phenylacetyl)carbamothioylamino]benzoate
CID 6957360
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide
CID 3305913
3-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 26160937
4-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 916512
2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide
CID 4939207
N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-phenylacetamide
CID 3933059
benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate
CID 22048547
N-(2-chlorophenyl)-4-oxo-4-[2-[(2-phenylacetyl)carbamothioyl]hydrazinyl]butanamide
CID 4505087
2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 817114
2-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]acetamide
CID 17142302

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide?
The IUPAC name of N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide (CID 3875315) is N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide.
What is the SMILES notation for N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide?
The canonical SMILES for N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide?
The InChIKey is QIDDYYSCMSGRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2S/c16-11-7-10(8-12(17)14(11)21)18-15(22)19-13(20)6-9-4-2-1-3-5-9/h1-5,7-8,21H,6H2,(H2,18,19,20,22).
What are the key properties of N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide?
N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide has a molecular weight of 355.25 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-2-phenylacetamide is sourced from PubChem (CID 3875315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).