N-[cyclohexyl(methyl)carbamothioyl]-4-fluorobenzamide

C15H19FN2OS — CID 1226756

IUPACN-[cyclohexyl(methyl)carbamothioyl]-4-fluorobenzamide
SMILESCN(C(=S)NC(=O)c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C15H19FN2OS/c1-18(13-5-3-2-4-6-13)15(20)17-14(19)11-7-9-12(16)10-8-11/h7-10,13H,2-6H2,1H3,(H,17,19,20)
InChIKeyGXXWOFMECKIOCV-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.10
Rot. Bonds2

About N-[cyclohexyl(methyl)carbamothioyl]-4-fluorobenzamide

N-[cyclohexyl(methyl)carbamothioyl]-4-fluorobenzamide (PubChem CID 1226756) has the molecular formula C15H19FN2OS and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[cyclohexyl(methyl)carbamothioyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[cyclohexyl(methyl)carbamothioyl]-4-fluorobenzamide
PubChem CID1226756
Molecular FormulaC15H19FN2OS
Molecular Weight294.39 g/mol
Exact Mass294.12
IUPAC NameN-[cyclohexyl(methyl)carbamothioyl]-4-fluorobenzamide
SMILESCN(C(=S)NC(=O)c1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C15H19FN2OS/c1-18(13-5-3-2-4-6-13)15(20)17-14(19)11-7-9-12(16)10-8-11/h7-10,13H,2-6H2,1H3,(H,17,19,20)
InChIKeyGXXWOFMECKIOCV-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(methyl)carbamothioyl]-4-fluorobenzamide?
The IUPAC name of N-[cyclohexyl(methyl)carbamothioyl]-4-fluorobenzamide (CID 1226756) is N-[cyclohexyl(methyl)carbamothioyl]-4-fluorobenzamide.
What is the SMILES notation for N-[cyclohexyl(methyl)carbamothioyl]-4-fluorobenzamide?
The canonical SMILES for N-[cyclohexyl(methyl)carbamothioyl]-4-fluorobenzamide is CN(C(=S)NC(=O)c1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(methyl)carbamothioyl]-4-fluorobenzamide?
The InChIKey is GXXWOFMECKIOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2OS/c1-18(13-5-3-2-4-6-13)15(20)17-14(19)11-7-9-12(16)10-8-11/h7-10,13H,2-6H2,1H3,(H,17,19,20).
What are the key properties of N-[cyclohexyl(methyl)carbamothioyl]-4-fluorobenzamide?
N-[cyclohexyl(methyl)carbamothioyl]-4-fluorobenzamide has a molecular weight of 294.39 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(methyl)carbamothioyl]-4-fluorobenzamide is sourced from PubChem (CID 1226756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).