N-(dibutylcarbamothioyl)-4-fluorobenzamide

C16H23FN2OS — CID 2294349

IUPACN-(dibutylcarbamothioyl)-4-fluorobenzamide
SMILESCCCCN(CCCC)C(=S)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2OS/c1-3-5-11-19(12-6-4-2)16(21)18-15(20)13-7-9-14(17)10-8-13/h7-10H,3-6,11-12H2,1-2H3,(H,18,20,21)
InChIKeyUDSSMCOYNONLDP-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.74
Rot. Bonds7

About N-(dibutylcarbamothioyl)-4-fluorobenzamide

N-(dibutylcarbamothioyl)-4-fluorobenzamide (PubChem CID 2294349) has the molecular formula C16H23FN2OS and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(dibutylcarbamothioyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(dibutylcarbamothioyl)-4-fluorobenzamide
PubChem CID2294349
Molecular FormulaC16H23FN2OS
Molecular Weight310.44 g/mol
Exact Mass310.15
IUPAC NameN-(dibutylcarbamothioyl)-4-fluorobenzamide
SMILESCCCCN(CCCC)C(=S)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2OS/c1-3-5-11-19(12-6-4-2)16(21)18-15(20)13-7-9-14(17)10-8-13/h7-10H,3-6,11-12H2,1-2H3,(H,18,20,21)
InChIKeyUDSSMCOYNONLDP-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.74
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

4-chloro-N-(dipropylcarbamothioyl)benzamide
CID 4924321
N-(dibutylcarbamothioyl)-3,5-dimethoxybenzamide
CID 18822917
N-(dipropylcarbamothioyl)-4-methoxybenzamide
CID 2223274
N-(dipropylcarbamothioyl)-4-ethoxybenzamide
CID 4948995
N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide
CID 3816997
N,N-dibutyl-3-(4-fluorophenyl)propanamide
CID 46906422
3-bromo-N,N-dibutyl-4-(4-fluorophenyl)-4-oxobutanamide
CID 25067893
4-fluoro-N-(methylcarbamothioyl)benzamide
CID 4948510
4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
CID 11185445
N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 78795819
4-fluoro-N-hexan-2-ylbenzamide
CID 62199480
N-(dimethylcarbamoyl)-4-fluorobenzamide
CID 134890610

Frequently Asked Questions

What is the IUPAC name of N-(dibutylcarbamothioyl)-4-fluorobenzamide?
The IUPAC name of N-(dibutylcarbamothioyl)-4-fluorobenzamide (CID 2294349) is N-(dibutylcarbamothioyl)-4-fluorobenzamide.
What is the SMILES notation for N-(dibutylcarbamothioyl)-4-fluorobenzamide?
The canonical SMILES for N-(dibutylcarbamothioyl)-4-fluorobenzamide is CCCCN(CCCC)C(=S)NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(dibutylcarbamothioyl)-4-fluorobenzamide?
The InChIKey is UDSSMCOYNONLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2OS/c1-3-5-11-19(12-6-4-2)16(21)18-15(20)13-7-9-14(17)10-8-13/h7-10H,3-6,11-12H2,1-2H3,(H,18,20,21).
What are the key properties of N-(dibutylcarbamothioyl)-4-fluorobenzamide?
N-(dibutylcarbamothioyl)-4-fluorobenzamide has a molecular weight of 310.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dibutylcarbamothioyl)-4-fluorobenzamide is sourced from PubChem (CID 2294349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).