2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide

C15H13ClN2O2S — CID 4939207

IUPAC2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc(O)c1
InChIInChI=1S/C15H13ClN2O2S/c16-11-6-4-10(5-7-11)8-14(20)18-15(21)17-12-2-1-3-13(19)9-12/h1-7,9,19H,8H2,(H2,17,18,20,21)
InChIKeyBTRUKWGJGXYXTF-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.10
Rot. Bonds3

About 2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide

2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide (PubChem CID 4939207) has the molecular formula C15H13ClN2O2S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide
PubChem CID4939207
Molecular FormulaC15H13ClN2O2S
Molecular Weight320.80 g/mol
Exact Mass320.04
IUPAC Name2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc(O)c1
InChIInChI=1S/C15H13ClN2O2S/c16-11-6-4-10(5-7-11)8-14(20)18-15(21)17-12-2-1-3-13(19)9-12/h1-7,9,19H,8H2,(H2,17,18,20,21)
InChIKeyBTRUKWGJGXYXTF-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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzamide
CID 26160978
N-[(3-hydroxyphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 4939160
N-[(3-chlorophenyl)carbamothioyl]-2-phenylacetamide
CID 916501
2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17154881
2-(4-chlorophenyl)-N-[(3-ethoxyphenyl)carbamothioyl]acetamide
CID 17098382
N-[(3-hydroxyphenyl)carbamothioyl]propanamide
CID 4939152
2-(4-chlorophenyl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]acetamide
CID 26162077
2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 817114
2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4939146
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)acetamide
CID 28878488
3-[(2-phenylacetyl)carbamothioylamino]benzamide
CID 26160937
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-phenylacetamide
CID 3305913

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide (CID 4939207) is 2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide is O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cccc(O)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide?
The InChIKey is BTRUKWGJGXYXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S/c16-11-6-4-10(5-7-11)8-14(20)18-15(21)17-12-2-1-3-13(19)9-12/h1-7,9,19H,8H2,(H2,17,18,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide?
2-(4-chlorophenyl)-N-[(3-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-[(3-hydroxyphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 4939207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).