3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide

C20H15ClN2OS — CID 87471438

IUPAC3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C20H15ClN2OS/c21-17-8-4-7-16(13-17)19(24)23-20(25)22-18-11-9-15(10-12-18)14-5-2-1-3-6-14/h1-13H,(H2,22,23,24,25)
InChIKeyMWEYIVJAAUIFNW-UHFFFAOYSA-N
MW366.87 g/mol
LogP5.13
Rot. Bonds3

About 3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide

3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide (PubChem CID 87471438) has the molecular formula C20H15ClN2OS and a molecular weight of 366.87 g/mol. Its IUPAC name is 3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide
PubChem CID87471438
Molecular FormulaC20H15ClN2OS
Molecular Weight366.87 g/mol
Exact Mass366.06
IUPAC Name3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C20H15ClN2OS/c21-17-8-4-7-16(13-17)19(24)23-20(25)22-18-11-9-15(10-12-18)14-5-2-1-3-6-14/h1-13H,(H2,22,23,24,25)
InChIKeyMWEYIVJAAUIFNW-UHFFFAOYSA-N
XLogP5.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.87
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide
CID 87472404
3-chloro-N-[(3,5-dichlorophenyl)carbamothioyl]benzamide
CID 2279775
3-chloro-N-[[4-(phenylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 4940381
3-chloro-N-[[4-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17230427
3-chloro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
CID 4635057
3-cyano-N-[(4-phenylphenyl)carbamothioyl]benzamide
CID 87470907
3-chloro-N-[4-[(4-fluorobenzoyl)carbamothioylamino]phenyl]benzamide
CID 4629756
3-chloro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
CID 1496927
N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-2-methylbenzamide
CID 4629267
N-[(3,4-dichlorophenyl)carbamothioyl]-4-phenylbenzamide
CID 2209802
3,4-dichloro-N-[(3-phenylphenyl)carbamothioyl]benzamide
CID 91286283
N-[(4-aminophenyl)carbamothioyl]-4-phenylbenzamide
CID 91673982

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide?
The IUPAC name of 3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide (CID 87471438) is 3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccc(-c2ccccc2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide?
The InChIKey is MWEYIVJAAUIFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2OS/c21-17-8-4-7-16(13-17)19(24)23-20(25)22-18-11-9-15(10-12-18)14-5-2-1-3-6-14/h1-13H,(H2,22,23,24,25).
What are the key properties of 3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide?
3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide has a molecular weight of 366.87 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 87471438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).