N-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide

C16H15FN2OS — CID 4950338

IUPACN-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide
SMILESCCN(C(=S)NC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C16H15FN2OS/c1-2-19(12-8-4-3-5-9-12)16(21)18-15(20)13-10-6-7-11-14(13)17/h3-11H,2H2,1H3,(H,18,20,21)
InChIKeySUULWGBFIBCTHO-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.37
Rot. Bonds3

About N-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide

N-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide (PubChem CID 4950338) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide
PubChem CID4950338
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC NameN-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide
SMILESCCN(C(=S)NC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C16H15FN2OS/c1-2-19(12-8-4-3-5-9-12)16(21)18-15(20)13-10-6-7-11-14(13)17/h3-11H,2H2,1H3,(H,18,20,21)
InChIKeySUULWGBFIBCTHO-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[ethyl(phenyl)carbamothioyl]-3-methylbut-2-enamide
CID 5064193
N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952165
N-[ethyl(phenyl)carbamothioyl]-2-phenoxyacetamide
CID 3320156
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057333
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943
N-(2,6-difluorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108518572
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
2-(2,4-dichlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]propanamide
CID 3323443
2-fluoro-N-[3-(N-octanoylanilino)propyl]benzamide
CID 42702500
2-(2-chlorophenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide
CID 3326115
N-[benzyl(phenyl)carbamothioyl]benzamide
CID 44825170
2-fluoro-N-phenyl-N-prop-2-enylbenzamide
CID 78795026

Frequently Asked Questions

What is the IUPAC name of N-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide?
The IUPAC name of N-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide (CID 4950338) is N-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide.
What is the SMILES notation for N-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide?
The canonical SMILES for N-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide is CCN(C(=S)NC(=O)c1ccccc1F)c1ccccc1.
What is the InChIKey of N-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide?
The InChIKey is SUULWGBFIBCTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-2-19(12-8-4-3-5-9-12)16(21)18-15(20)13-10-6-7-11-14(13)17/h3-11H,2H2,1H3,(H,18,20,21).
What are the key properties of N-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide?
N-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide has a molecular weight of 302.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethyl(phenyl)carbamothioyl]-2-fluorobenzamide is sourced from PubChem (CID 4950338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).