2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide

C15H13ClN2O2S — CID 817114

IUPAC2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccccc1O
InChIInChI=1S/C15H13ClN2O2S/c16-11-7-5-10(6-8-11)9-14(20)18-15(21)17-12-3-1-2-4-13(12)19/h1-8,19H,9H2,(H2,17,18,20,21)
InChIKeyGOPQFUDBVRDPCU-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.10
Rot. Bonds3

About 2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide

2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide (PubChem CID 817114) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide
PubChem CID817114
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccccc1O
InChIInChI=1S/C15H13ClN2O2S/c16-11-7-5-10(6-8-11)9-14(20)18-15(21)17-12-3-1-2-4-13(12)19/h1-8,19H,9H2,(H2,17,18,20,21)
InChIKeyGOPQFUDBVRDPCU-UHFFFAOYSA-N
XLogP3.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide
CID 884329
2-(4-chlorophenyl)-N-[(2-nitrophenyl)carbamothioyl]acetamide
CID 2893881
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 889519
2-(4-chlorophenyl)-N-(quinolin-8-ylcarbamothioyl)acetamide
CID 4006283
2-(4-chlorophenyl)-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide
CID 4937041
2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide
CID 4939207
3-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]prop-2-enamide
CID 884280
2-(4-chlorophenyl)-N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]acetamide
CID 3933868
2-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-N-(3,4-dimethylphenyl)benzamide
CID 4944628
2-(4-chlorophenyl)-N-[[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]acetamide
CID 17103165
3,5-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
CID 17133732
N-[4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]phenyl]-2-methylbenzamide
CID 17251768

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide (CID 817114) is 2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide is O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccccc1O.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide?
The InChIKey is GOPQFUDBVRDPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c16-11-7-5-10(6-8-11)9-14(20)18-15(21)17-12-3-1-2-4-13(12)19/h1-8,19H,9H2,(H2,17,18,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide?
2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide has a molecular weight of 320.80 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 817114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).