N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide

C16H15FN2O2S — CID 17099525

IUPACN-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
SMILESCCOc1ccccc1NC(=S)NC(=O)c1cccc(F)c1
InChIInChI=1S/C16H15FN2O2S/c1-2-21-14-9-4-3-8-13(14)18-16(22)19-15(20)11-6-5-7-12(17)10-11/h3-10H,2H2,1H3,(H2,18,19,20,22)
InChIKeyWMSURJFNUOLCFM-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.35
Rot. Bonds4

About N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide

N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide (PubChem CID 17099525) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
PubChem CID17099525
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC NameN-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
SMILESCCOc1ccccc1NC(=S)NC(=O)c1cccc(F)c1
InChIInChI=1S/C16H15FN2O2S/c1-2-21-14-9-4-3-8-13(14)18-16(22)19-15(20)11-6-5-7-12(17)10-11/h3-10H,2H2,1H3,(H2,18,19,20,22)
InChIKeyWMSURJFNUOLCFM-UHFFFAOYSA-N
XLogP3.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyethoxy)-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 17139907
N-[(2-ethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 1226913
N-[(4-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 881380
N-[(2-ethoxyphenyl)carbamothioyl]-4-methoxybenzamide
CID 1226908
3-fluoro-N-(naphthalen-1-ylcarbamothioyl)benzamide
CID 881399
3,4,5-triethoxy-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1048249
N-[(2,5-diethoxyphenyl)carbamothioyl]benzamide
CID 13003888
3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1018499
3-bromo-4-ethoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074107
N-[(2-methoxyphenyl)carbamothioyl]-3-propoxybenzamide
CID 2901874
2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 1226903
2-[(3-ethoxybenzoyl)carbamothioylamino]-N-ethylbenzamide
CID 4957748

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide?
The IUPAC name of N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide (CID 17099525) is N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide is CCOc1ccccc1NC(=S)NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide?
The InChIKey is WMSURJFNUOLCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-2-21-14-9-4-3-8-13(14)18-16(22)19-15(20)11-6-5-7-12(17)10-11/h3-10H,2H2,1H3,(H2,18,19,20,22).
What are the key properties of N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide?
N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide has a molecular weight of 318.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)carbamothioyl]-3-fluorobenzamide is sourced from PubChem (CID 17099525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).