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

C20H15FN2OS — CID 87472404

IUPAC3-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(-c2ccccc2)cc1)c1cccc(F)c1
InChIInChI=1S/C20H15FN2OS/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)
InChIKeyOXPAUCLNXSXTKD-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.62
Rot. Bonds3

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

3-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide (PubChem CID 87472404) has the molecular formula C20H15FN2OS and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide
PubChem CID87472404
Molecular FormulaC20H15FN2OS
Molecular Weight350.42 g/mol
Exact Mass350.09
IUPAC Name3-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccc(-c2ccccc2)cc1)c1cccc(F)c1
InChIInChI=1S/C20H15FN2OS/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)
InChIKeyOXPAUCLNXSXTKD-UHFFFAOYSA-N
XLogP4.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(4-phenylphenyl)carbamothioyl]benzamide
CID 87471438
2-[4-[(3-fluorobenzoyl)carbamothioylamino]phenyl]acetic acid
CID 28687153
3-cyano-N-[(4-phenylphenyl)carbamothioyl]benzamide
CID 87470907
3-(benzoylcarbamothioylamino)-N-(4-fluorophenyl)benzamide
CID 26159726
N-[[4-(diethylamino)phenyl]carbamothioyl]-3-fluorobenzamide
CID 881518
N-[(4-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 881380
N-[(4-butylphenyl)carbamothioyl]-3-fluorobenzamide
CID 2279604
N-[(4-aminophenyl)carbamothioyl]-4-phenylbenzamide
CID 91673982
3-fluoro-N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide
CID 3274065
3-fluoro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 2279563
3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide
CID 881399
4-cyano-N-[(4-phenylphenyl)carbamothioyl]benzamide
CID 87471579

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide?
The IUPAC name of 3-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide (CID 87472404) is 3-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccc(-c2ccccc2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide?
The InChIKey is OXPAUCLNXSXTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2OS/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-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide?
3-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-phenylphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 87472404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).